3-methyl-7-(2-methylprop-2-enyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(3-phenylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-[4-(3-phenylpropyl)piperazino]xanthine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H30N6O2/c1-17(2)16-29-19-20(26(3)23(31)25-21(19)30)24-22(29)28-14-12-27(13-15-28)11-7-10-18-8-5-4-6-9-18/h4-6,8-9H,1,7,10-16H2,2-3H3,(H,25,30,31)