methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxo-quinazoline-7-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[3-methyl-2-(methylthio)-4-oxo-7-quinazolinyl]-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[4-keto-3-methyl-2-(methylthio)quinazoline-7-carbonyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)C4=NC=C(C=C4)C(=O)OC)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)C4=NC=C(C=C4)C(=O)OC)N=C1SC

InChI

InChI=1S/C22H21N5O5S/c1-25-19(29)15-7-5-13(11-17(15)24-22(25)33-3)18(28)26-9-4-10-27(26)20(30)16-8-6-14(12-23-16)21(31)32-2/h5-8,11-12H,4,9-10H2,1-3H3