1,3-dimethyl-7-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxo-propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(4-methyl-2-phenyl-1-piperazinyl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-(4-methyl-2-phenyl-piperazino)propyl]-1,3-dimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H26N6O3/c1-23-11-12-27(16(13-23)15-7-5-4-6-8-15)17(28)9-10-26-14-22-19-18(26)20(29)25(3)21(30)24(19)2/h4-8,14,16H,9-13H2,1-3H3