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

Systemtic Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]-8-(4-phenylpiperazino)xanthine Formula: C24H28N8O2S MolecularWeight: 492.59652

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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=NC=CC=N5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

InChI

InChI=1S/C24H28N8O2S/c1-17(16-35-22-25-9-6-10-26-22)15-32-19-20(29(2)24(34)28-21(19)33)27-23(32)31-13-11-30(12-14-31)18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3,(H,28,33,34)