3-methyl-8-[(3S)-3-methylpiperidin-1-yl]-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H25N7O2S/c1-12-5-4-8-25(11-12)18-22-15-14(16(27)23-19(28)24(15)3)26(18)9-10-29-17-20-7-6-13(2)21-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,23,27,28)/t12-/m0/s1