thiophen-3-ylmethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: thiophen-3-ylmethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 3-thienylmethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 3-thenyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CSC=C2)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CSC=C2)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O3S/c1-2-25-20(26)17(23-19-11-22-10-15-5-3-4-6-16(15)19)9-18(24-25)21(27)28-12-14-7-8-29-13-14/h3-11,13,23H,2,12H2,1H3