(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (6-acetyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2)Cl)C

InChI

InChI=1S/C18H16ClN3O4S/c1-7-5-8(2)20-15(19)12(7)18(25)26-6-11-21-16(24)13-9(3)14(10(4)23)27-17(13)22-11/h5H,6H2,1-4H3,(H,21,22,24)