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

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-(4-phenylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O3/c1-22-18-17(19(28)23(2)20(22)29)26(14-21-18)9-8-16(27)25-12-10-24(11-13-25)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3