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Summary
Name:2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Formula:C20 H18 N4 O
Formal charge:0
Formula weight:330.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
OpenEye OEToolkits1.9.22-azanyl-6-phenyl-5-(2-phenylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc4
InChIInChI1.03InChI=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)
InChIKeyInChI1.03YBOPRCBPMVVKCJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c4ccccc4
SMILESCACTVS3.385NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N

224931

PDB entries from 2024-09-11

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