1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperazinyl)-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperazino)-7-[2-(phenylthio)ethyl]xanthine Formula: C20H26N6O2S MolecularWeight: 414.52444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H26N6O2S/c1-22-9-11-25(12-10-22)19-21-17-16(18(27)24(3)20(28)23(17)2)26(19)13-14-29-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3