3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-(phenylthio)propyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-(phenylthio)propyl]-8-(4-phenylpiperazino)xanthine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2S/c1-19(18-35-21-11-7-4-8-12-21)17-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-15-13-30(14-16-31)20-9-5-3-6-10-20/h3-12,19H,13-18H2,1-2H3,(H,28,33,34)