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

Systemtic Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenyl-1-piperazinyl)-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(4-phenylpiperazino)-7-[2-(phenylthio)ethyl]xanthine Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O2S/c1-27-21-20(22(31)26-24(27)32)30(16-17-33-19-10-6-3-7-11-19)23(25-21)29-14-12-28(13-15-29)18-8-4-2-5-9-18/h2-11H,12-17H2,1H3,(H,26,31,32)