tert-butyl 4-(4-methyl-2-methylsulfanyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)benzoate

Systemtic Name: tert-butyl 4-(4-methyl-2-methylsulfanyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)benzoate Openeye Name: tert-butyl 4-(4-methyl-2-methylsulfanyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl)benzoate CAS Name: 4-[4-methyl-2-(methylthio)-7-oxo-8-pyrido[2,3-d]pyrimidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)benzoate Traditional Name: 4-[7-keto-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-8-yl]benzoic acid tert-butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)SC)C3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)SC)C3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H21N3O3S/c1-12-15-10-11-16(24)23(17(15)22-19(21-12)27-5)14-8-6-13(7-9-14)18(25)26-20(2,3)4/h6-11H,1-5H3