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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-[2-(phenylthio)ethyl]xanthine Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCSC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCSC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3S/c1-28-22-21(23(32)27-25(28)33)31(16-17-35-20-6-4-3-5-7-20)24(26-22)30-14-12-29(13-15-30)18-8-10-19(34-2)11-9-18/h3-11H,12-17H2,1-2H3,(H,27,32,33)