ethyl 5-azanyl-4-cyano-3-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H19N5O3S2 MolecularWeight: 477.55866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

InChI

InChI=1S/C23H19N5O3S2/c1-3-31-22(30)19-16(15(10-24)20(25)33-19)12-32-23-27-17-7-5-4-6-14(17)21(29)28(23)18-9-8-13(2)11-26-18/h4-9,11H,3,12,25H2,1-2H3