3-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-phenyl-quinoxalin-6-amine

Systemtic Name: 3-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-phenyl-quinoxalin-6-amine Openeye Name: 3-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-2-phenyl-quinoxalin-6-amine CAS Name: 3-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-2-phenyl-6-quinoxalinamine IUPAC Name: 3-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxalin-6-amine Traditional Name: [3-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-2-phenyl-quinoxalin-6-yl]amine Formula: C31H29N9 MolecularWeight: 527.62226

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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=CC(=C6)N)N=C5C7=CC=CC=C7

Isomeric SMILES

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

InChI

InChI=1S/C31H29N9/c32-23-10-11-25-26(16-23)38-28(27(37-25)21-4-2-1-3-5-21)22-8-6-20(7-9-22)17-39-14-12-24(13-15-39)40-19-36-29-30(33)34-18-35-31(29)40/h1-11,16,18-19,24H,12-15,17,32H2,(H2,33,34,35)