N-(3-methylphenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C32H34N8O MolecularWeight: 546.66536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C32H34N8O/c1-24-9-8-14-27(21-24)35-32(41)39-19-17-38(18-20-39)31-36-29(33-16-15-25-10-4-2-5-11-25)28-30(37-31)40(23-34-28)22-26-12-6-3-7-13-26/h2-14,21,23H,15-20,22H2,1H3,(H,35,41)(H,33,36,37)