3-methyl-7-[(2R)-2-methyl-3-pyrimidin-2-ylsulfanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-methyl-3-pyrimidin-2-ylsulfanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2R)-2-methyl-3-pyrimidin-2-ylsulfanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[(2R)-2-methyl-3-(2-pyrimidinylthio)propyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2R)-2-methyl-3-pyrimidin-2-ylsulfanylpropyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[(2R)-2-methyl-3-(2-pyrimidylthio)propyl]-8-pyrrolidino-xanthine Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

InChI

InChI=1S/C18H23N7O2S/c1-12(11-28-16-19-6-5-7-20-16)10-25-13-14(23(2)18(27)22-15(13)26)21-17(25)24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,26,27)/t12-/m1/s1