8-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(4-acetylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-acetyl-1-piperazinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(4-acetylpiperazin-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-acetylpiperazino)-7-benzyl-1,3-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N6O3/c1-14(27)24-9-11-25(12-10-24)19-21-17-16(18(28)23(3)20(29)22(17)2)26(19)13-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3