2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one

Systemtic Name: 2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one Openeye Name: 2-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one CAS Name: 2-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one IUPAC Name: 2-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one Traditional Name: 2-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-3-phenyl-1H-quinoxalin-5-one Formula: C31H28N8O MolecularWeight: 528.60702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=C(N=C6C(=O)C=CC=C6N5)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=C(N=C6C(=O)C=CC=C6N5)C7=CC=CC=C7

InChI

InChI=1S/C31H28N8O/c32-30-29-31(34-18-33-30)39(19-35-29)23-13-15-38(16-14-23)17-20-9-11-22(12-10-20)26-27(21-5-2-1-3-6-21)37-28-24(36-26)7-4-8-25(28)40/h1-12,18-19,23,36H,13-17H2,(H2,32,33,34)