P0W

6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

Created:	2020-04-14
Last modified:	2020-07-15

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1 entries where P0W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	11

2D diagram of P0W

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Chemical Component Summary
Name	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula	C₁₆ H₁₇ N₅ O₂
Molecular Weight	311.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3
Canonical SMILES	CACTVS	3.385	CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3
InChI	InChI	1.03	InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)
InChIKey	InChI	1.03	QEPPSXRODAKRSU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	51086836

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