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Summary Geometry Related PDB entries

YGL

Summary

Name:	2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Formula:	C18 H14 N4 O
Formal charge:	0
Formula weight:	302.33 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
OpenEye OEToolkits	1.9.2	2-azanyl-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)c4ccccc4
InChI	InChI	1.03	InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)
InChIKey	InChI	1.03	XTJRPOFKSXCKPF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N

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