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

Systemtic Name: 2-azanyl-1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(3-butoxypropyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(3-butoxypropyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N4O4S/c1-3-4-11-28-12-5-10-24-17-16(13-22-23-20(17)25)18(19(24)21)29(26,27)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12,21H2,1-2H3,(H,23,25)