1,3-dimethyl-7-[2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methyl-2-oxo-thiazol-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methyl-2-oxo-3-thiazolyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CSC(=O)N1CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H15N5O3S/c1-8-6-22-13(21)18(8)5-4-17-7-14-10-9(17)11(19)16(3)12(20)15(10)2/h6-7H,4-5H2,1-3H3