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

Systemtic Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]-8-morpholino-xanthine Formula: C17H21N7O3S MolecularWeight: 403.45874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H21N7O3S/c1-11-3-4-18-15(19-11)28-10-7-24-12-13(22(2)17(26)21-14(12)25)20-16(24)23-5-8-27-9-6-23/h3-4H,5-10H2,1-2H3,(H,21,25,26)