3-methyl-8-(4-methylpiperazin-1-yl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione Openeye Name: 3-methyl-7-[(1R)-1-methyl-2-oxo-propyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperazinyl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-methyl-propyl]-3-methyl-8-(4-methylpiperazino)xanthine Formula: C15H22N6O3 MolecularWeight: 334.37358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

C[C@H](C(=O)C)N1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N6O3/c1-9(10(2)22)21-11-12(19(4)15(24)17-13(11)23)16-14(21)20-7-5-18(3)6-8-20/h9H,5-8H2,1-4H3,(H,17,23,24)/t9-/m1/s1