FQW

2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Created:	2014-01-16
Last modified:	2015-01-21

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1 entries where FQW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	17

2D diagram of FQW

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Chemical Component Summary
Name	2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-phenyl-5-(2-phenylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₂₀ H₁₈ N₄ O
Molecular Weight	330.383
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc4
SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c4ccccc4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C20H18N4O/c21-20-23-18-16(19(25)24-20)15(12-11-13-7-3-1-4-8-13)17(22-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H4,21,22,23,24,25)
InChIKey	InChI	1.03	YBOPRCBPMVVKCJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566680, 86580364
ChEMBL	CHEMBL3318816

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