1-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-[(4-methylphenyl)methyl]purin-2-yl]-2,5-dimethyl-piperazin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-[(4-methylphenyl)methyl]purin-2-yl]-2,5-dimethyl-piperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-(p-tolylmethyl)purin-2-yl]-2,5-dimethyl-piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-[(4-methylphenyl)methyl]-2-purinyl]-2,5-dimethyl-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-[(4-methylphenyl)methyl]purin-2-yl]-2,5-dimethylpiperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[2,5-dimethyl-4-[9-(4-methylbenzyl)-6-(piperonylamino)purin-2-yl]piperazino]-3-methyl-but-2-en-1-one Formula: C32H37N7O3 MolecularWeight: 567.68128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C=C(C)C)C)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=C(C=C6)C

Isomeric SMILES

CC1CN(C(CN1C(=O)C=C(C)C)C)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=C(C=C6)C

InChI

InChI=1S/C32H37N7O3/c1-20(2)12-28(40)38-15-23(5)39(16-22(38)4)32-35-30(33-14-25-10-11-26-27(13-25)42-19-41-26)29-31(36-32)37(18-34-29)17-24-8-6-21(3)7-9-24/h6-13,18,22-23H,14-17,19H2,1-5H3,(H,33,35,36)