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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C19H25N7O2S/c1-12-11-13(2)21-17(20-12)29-10-9-26-14-15(24(3)19(28)23-16(14)27)22-18(26)25-7-5-4-6-8-25/h11H,4-10H2,1-3H3,(H,23,27,28)