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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C18H15ClN4O3S/c1-9-10-6-4-5-7-12(10)27-14(9)11(24)8-23-13-15(20-17(23)19)21(2)18(26)22(3)16(13)25/h4-7H,8H2,1-3H3