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

Systemtic Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperazinyl)-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperazino)-7-(1-phenylethyl)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)25-15-16(23(3)19(27)21-17(15)26)20-18(25)24-11-9-22(2)10-12-24/h4-8,13H,9-12H2,1-3H3,(H,21,26,27)