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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(5-methyl-2-thienyl)ethyl]-1,3-dimethyl-xanthine Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H13ClN4O3S/c1-7-4-5-9(23-7)8(20)6-19-10-11(16-13(19)15)17(2)14(22)18(3)12(10)21/h4-5H,6H2,1-3H3