3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[2-(2-pyrimidinylthio)ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-(2-pyrimidylthio)ethyl]-8-pyrrolidino-xanthine Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC=CC=N4

InChI

InChI=1S/C16H19N7O2S/c1-21-12-11(13(24)20-16(21)25)23(15(19-12)22-7-2-3-8-22)9-10-26-14-17-5-4-6-18-14/h4-6H,2-3,7-10H2,1H3,(H,20,24,25)