1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C16H24N6O2 MolecularWeight: 332.40076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O2/c1-5-6-22-12(11-21-9-7-18(2)8-10-21)17-14-13(22)15(23)20(4)16(24)19(14)3/h5H,1,6-11H2,2-4H3