1,3-dimethyl-7-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(5-methyl-2-thienyl)ethyl]-1,3-dimethyl-xanthine Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H14N4O3S/c1-8-4-5-10(22-8)9(19)6-18-7-15-12-11(18)13(20)17(3)14(21)16(12)2/h4-5,7H,6H2,1-3H3