1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]-8-pyrrolidino-xanthine Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H23N7O2S/c1-12-6-7-19-16(20-12)28-11-10-25-13-14(21-17(25)24-8-4-5-9-24)22(2)18(27)23(3)15(13)26/h6-7H,4-5,8-11H2,1-3H3