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

Systemtic Name: 1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]-8-pyrrolidino-xanthine Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NC=CC=N4

InChI

InChI=1S/C17H21N7O2S/c1-21-13-12(14(25)22(2)17(21)26)24(16(20-13)23-8-3-4-9-23)10-11-27-15-18-6-5-7-19-15/h5-7H,3-4,8-11H2,1-2H3