2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-quinoxaline-6-carboxylic acid

Systemtic Name: 2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-quinoxaline-6-carboxylic acid Openeye Name: 2-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-3-phenyl-quinoxaline-6-carboxylic acid CAS Name: 2-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-3-phenyl-6-quinoxalinecarboxylic acid IUPAC Name: 2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxylic acid Traditional Name: 2-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-3-phenyl-quinoxaline-6-carboxylic acid Formula: C32H28N8O2 MolecularWeight: 556.61712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)C(=O)O)N=C5C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)C(=O)O)N=C5C7=CC=CC=C7

InChI

InChI=1S/C32H28N8O2/c33-30-29-31(35-18-34-30)40(19-36-29)24-12-14-39(15-13-24)17-20-6-8-22(9-7-20)28-27(21-4-2-1-3-5-21)38-26-16-23(32(41)42)10-11-25(26)37-28/h1-11,16,18-19,24H,12-15,17H2,(H,41,42)(H2,33,34,35)