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

Systemtic Name: 1,3-dimethyl-7-[4-(4-methyl-2-phenyl-piperazin-1-yl)-4-oxidanylidene-butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(4-methyl-2-phenyl-piperazin-1-yl)-4-oxo-butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-(4-methyl-2-phenyl-1-piperazinyl)-4-oxobutyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-(4-methyl-2-phenylpiperazin-1-yl)-4-oxobutyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-(4-methyl-2-phenyl-piperazino)butyl]-1,3-dimethyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H28N6O3/c1-24-12-13-28(17(14-24)16-8-5-4-6-9-16)18(29)10-7-11-27-15-23-20-19(27)21(30)26(3)22(31)25(20)2/h4-6,8-9,15,17H,7,10-14H2,1-3H3