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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-phenylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)12-15(26)24-10-8-23(9-11-24)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3