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

Systemtic Name: 1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H16N4O3S/c1-10-11-6-4-5-7-13(11)26-15(10)12(23)8-22-9-19-16-14(22)17(24)21(3)18(25)20(16)2/h4-7,9H,8H2,1-3H3