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

Systemtic Name: N-(3-methoxyphenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide Formula: C32H34N8O2 MolecularWeight: 562.66476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C32H34N8O2/c1-42-27-14-8-13-26(21-27)35-32(41)39-19-17-38(18-20-39)31-36-29(33-16-15-24-9-4-2-5-10-24)28-30(37-31)40(23-34-28)22-25-11-6-3-7-12-25/h2-14,21,23H,15-20,22H2,1H3,(H,35,41)(H,33,36,37)