1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperazinyl)-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-(4-methylpiperazino)xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(N=C1N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H24N6O3/c1-10(11(2)23)22-12-13(19(4)16(25)20(5)14(12)24)17-15(22)21-8-6-18(3)7-9-21/h10H,6-9H2,1-5H3