5-[(Z)-N-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]amino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C20H21N4O4S- MolecularWeight: 413.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1NN=C(C)C3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1N/N=C(/C)\C3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-3-28-12-6-11-24-18(25)14-7-4-5-8-15(14)21-20(24)23-22-13(2)16-9-10-17(29-16)19(26)27/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,21,23)(H,26,27)/p-1/b22-13-