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

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-isobutyl-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-isobutyl-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC(C)C)N

InChI

InChI=1S/C17H20N4O3S/c1-10(2)9-21-14-13(8-19-20-17(14)22)15(16(21)18)25(23,24)12-6-4-11(3)5-7-12/h4-8,10H,9,18H2,1-3H3,(H,20,22)