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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

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