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APJ

Summary
Name:N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
Formula:C17 H16 N8
Formal charge:0
Formula weight:332.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
OpenEye OEToolkits1.5.0N-(1H-benzimidazol-5-yl)-N'-(5-cyclopropyl-2H-pyrazol-3-yl)pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1cc(ccc1nc2)Nc5nc(Nc3cc(nn3)C4CC4)ccn5
SMILES_CANONICALCACTVS3.341C1CC1c2cc([nH]n2)Nc3ccnc(Nc4ccc5[nH]cnc5c4)n3
SMILESCACTVS3.341C1CC1c2cc([nH]n2)Nc3ccnc(Nc4ccc5[nH]cnc5c4)n3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2
InChIInChI1.03InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
InChIKeyInChI1.03WJNBSTLIALIIEW-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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