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A1BIV

Summary
Name:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Formula:C22 H17 Cl N4 O3
Formal charge:0
Formula weight:420.848 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
OpenEye OEToolkits3.1.0.06-(4-chlorophenyl)-1-methyl-5-[(3~{S})-1-methyl-2-oxidanylidene-3~{H}-indol-3-yl]-7~{H}-pyrrolo[2,3-d]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O
InChIInChI1.06InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1
InChIKeyInChI1.06AHQASKURDHESBQ-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)NC(=O)c2c1[nH]c(c3ccc(Cl)cc3)c2[C@H]4C(=O)N(C)c5ccccc45
SMILESCACTVS3.385CN1C(=O)NC(=O)c2c1[nH]c(c3ccc(Cl)cc3)c2[CH]4C(=O)N(C)c5ccccc45
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN1c2ccccc2[C@H](C1=O)c3c4c([nH]c3c5ccc(cc5)Cl)N(C(=O)NC4=O)C
SMILESOpenEye OEToolkits3.1.0.0CN1c2ccccc2C(C1=O)c3c4c([nH]c3c5ccc(cc5)Cl)N(C(=O)NC4=O)C

250835

PDB entries from 2026-03-18

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