UIM

N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide

Created:	2023-09-05
Last modified:	2024-09-27

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1 entries where UIM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	0
Bond Count	68
Aromatic Bond Count	28

2D diagram of UIM

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Chemical Component Summary
Name	N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[4-azanyl-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methyl-propanamide
Formula	C₂₈ H₂₇ N₇ O₂
Molecular Weight	493.56
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)cc1
SMILES	CACTVS	3.385	CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncnc(N)c3c2c4ccc(Oc5nccc(C)n5)cc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnc(n1)Oc2ccc(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C)C)C)N
Canonical SMILES	CACTVS	3.385	CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncnc(N)c3c2c4ccc(Oc5nccc(C)n5)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnc(n1)Oc2ccc(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C)C)C)N
InChI	InChI	1.06	InChI=1S/C28H27N7O2/c1-16(2)27(36)34-20-9-5-19(6-10-20)24-22(23-25(29)31-15-32-26(23)35(24)4)18-7-11-21(12-8-18)37-28-30-14-13-17(3)33-28/h5-16H,1-4H3,(H,34,36)(H2,29,31,32)
InChIKey	InChI	1.06	PJTFDPCWAHARFB-UHFFFAOYSA-N

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