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

Systemtic Name: 3-methyl-7-(2-phenylsulfanylethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-phenylsulfanylethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(phenylthio)ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenylsulfanylethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-(phenylthio)ethyl]-8-piperidino-xanthine Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O2S/c1-22-16-15(17(25)21-19(22)26)24(12-13-27-14-8-4-2-5-9-14)18(20-16)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,25,26)