3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylethyl]-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-2-thiazolyl)thio]ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methylthiazol-2-yl)thio]ethyl]-8-morpholino-xanthine Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H20N6O3S2/c1-10-9-27-16(17-10)26-8-5-22-11-12(20(2)15(24)19-13(11)23)18-14(22)21-3-6-25-7-4-21/h9H,3-8H2,1-2H3,(H,19,23,24)