2-azanyl-1-(3-ethoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-(3-ethoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(3-ethoxypropyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(3-ethoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(3-ethoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(3-ethoxypropyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H22N4O4S/c1-3-26-10-4-9-22-15-14(11-20-21-18(15)23)16(17(22)19)27(24,25)13-7-5-12(2)6-8-13/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,21,23)