5-[(Z)-N-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-N-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-N-[[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-N-[[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-N-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2C(=O)N1CCCOC)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C/C(=N/NC1=NC2=CC=CC=C2C(=O)N1CCCOC)/C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C19H20N4O4S/c1-12(15-8-9-16(28-15)18(25)26)21-22-19-20-14-7-4-3-6-13(14)17(24)23(19)10-5-11-27-2/h3-4,6-9H,5,10-11H2,1-2H3,(H,20,22)(H,25,26)/b21-12-