(3-azanyl-3-oxidanylidene-propyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-3-yl-pyridazine-4-carboxylate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-3-yl-pyridazine-4-carboxylate Openeye Name: (3-amino-3-oxo-propyl) 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(3-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-(3-thiophenyl)-4-pyridazinecarboxylic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-3-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(3-thienyl)pyridazine-4-carboxylic acid (3-amino-3-keto-propyl) ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4S/c1-2-28-22(30)21(26-17-12-25-11-14-5-3-4-6-16(14)17)19(23(31)32-9-7-18(24)29)20(27-28)15-8-10-33-13-15/h3-6,8,10-13,26H,2,7,9H2,1H3,(H2,24,29)