8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C25H30N8O3S MolecularWeight: 522.6225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N8O3S/c1-17(16-37-23-26-9-4-10-27-23)15-33-20-21(30(2)25(35)29-22(20)34)28-24(33)32-13-11-31(12-14-32)18-5-7-19(36-3)8-6-18/h4-10,17H,11-16H2,1-3H3,(H,29,34,35)