8-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-acetylpiperazin-1-yl)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-acetyl-1-piperazinyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-acetylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-acetylpiperazino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H26N6O3/c1-14-6-5-7-16(12-14)13-27-17-18(23(3)21(30)24(4)19(17)29)22-20(27)26-10-8-25(9-11-26)15(2)28/h5-7,12H,8-11,13H2,1-4H3