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

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]-8-piperidino-xanthine Formula: C19H25N7O2S MolecularWeight: 415.5125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N7O2S/c1-13-7-8-20-17(21-13)29-12-11-26-14-15(23(2)19(28)24(3)16(14)27)22-18(26)25-9-5-4-6-10-25/h7-8H,4-6,9-12H2,1-3H3