cyclopropyl-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]methanone Openeye Name: [4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: [4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[9-benzyl-6-(o-anisylamino)purin-2-yl]piperazino]-cyclopropyl-methanone Formula: C28H31N7O2 MolecularWeight: 497.59144

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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)C6CC6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)C6CC6

InChI

InChI=1S/C28H31N7O2/c1-37-23-10-6-5-9-22(23)17-29-25-24-26(35(19-30-24)18-20-7-3-2-4-8-20)32-28(31-25)34-15-13-33(14-16-34)27(36)21-11-12-21/h2-10,19,21H,11-18H2,1H3,(H,29,31,32)