3-methyl-7-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]-8-pyrrolidino-xanthine Formula: C19H21N9O2S MolecularWeight: 439.49414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H21N9O2S/c1-25-15-14(16(29)21-18(25)30)27(17(20-15)26-9-5-6-10-26)11-12-31-19-22-23-24-28(19)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,29,30)