7-(2-ethanoylphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-ethanoylphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-acetylphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-acetylphenyl)-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-acetylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-acetylphenyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H22N6O3/c1-12(26)13-6-4-5-7-14(13)25-15-16(22(2)19(28)23(3)17(15)27)21-18(25)24-10-8-20-9-11-24/h4-7,20H,8-11H2,1-3H3