1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C14H20N6O3 MolecularWeight: 320.347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H20N6O3/c1-16-4-6-19(7-5-16)10(21)8-20-9-15-12-11(20)13(22)18(3)14(23)17(12)2/h9H,4-8H2,1-3H3