methyl 2-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-6-[(4-methylphenyl)methylamino]purin-9-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-6-[(4-methylphenyl)methylamino]purin-9-yl]ethanoate Openeye Name: methyl 2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-(p-tolylmethylamino)purin-9-yl]acetate CAS Name: 2-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-6-[(4-methylphenyl)methylamino]-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-[(4-methylphenyl)methylamino]purin-9-yl]acetate Traditional Name: 2-[2-[4-(cyclopropanecarbonyl)piperazino]-6-[(4-methylbenzyl)amino]purin-9-yl]acetic acid methyl ester Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC(=O)OC)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC(=O)OC)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C24H29N7O3/c1-16-3-5-17(6-4-16)13-25-21-20-22(31(15-26-20)14-19(32)34-2)28-24(27-21)30-11-9-29(10-12-30)23(33)18-7-8-18/h3-6,15,18H,7-14H2,1-2H3,(H,25,27,28)