8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-7-[2-(phenylthio)ethyl]xanthine Formula: C26H30N6O3S MolecularWeight: 506.6198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCSC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCSC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3S/c1-28-23-22(24(33)29(2)26(28)34)32(17-18-36-21-7-5-4-6-8-21)25(27-23)31-15-13-30(14-16-31)19-9-11-20(35-3)12-10-19/h4-12H,13-18H2,1-3H3