2-azanyl-1-(2-methylpropyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-(2-methylpropyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-isobutyl-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(2-methylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(2-methylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-isobutyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S/c1-10(2)9-20-13-12(8-18-19-16(13)21)14(15(20)17)24(22,23)11-6-4-3-5-7-11/h3-8,10H,9,17H2,1-2H3,(H,19,21)