3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperazinyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-methyl-8-(4-methylpiperazino)xanthine Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3/c1-9(21)8-20-10-11(18(3)14(23)16-12(10)22)15-13(20)19-6-4-17(2)5-7-19/h4-8H2,1-3H3,(H,16,22,23)