3-cyclopentyl-1-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[9-benzyl-6-(o-anisylamino)purin-2-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C32H39N7O2 MolecularWeight: 553.69776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)CCC6CCCC6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)CCC6CCCC6

InChI

InChI=1S/C32H39N7O2/c1-41-27-14-8-7-13-26(27)21-33-30-29-31(39(23-34-29)22-25-11-3-2-4-12-25)36-32(35-30)38-19-17-37(18-20-38)28(40)16-15-24-9-5-6-10-24/h2-4,7-8,11-14,23-24H,5-6,9-10,15-22H2,1H3,(H,33,35,36)