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

Systemtic Name: 1,3-dimethyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(2-methylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(2-methylthiazol-4-yl)methyl]xanthine Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=NC(=CS1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C12H13N5O2S/c1-7-14-8(5-20-7)4-17-6-13-10-9(17)11(18)16(3)12(19)15(10)2/h5-6H,4H2,1-3H3