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

Systemtic Name: 2-azanyl-1-butan-2-yl-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(p-tolylsulfonyl)-1-sec-butyl-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-butan-2-yl-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-butan-2-yl-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-sec-butyl-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:

CCC(C)N1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)N1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H20N4O3S/c1-4-11(3)21-14-13(9-19-20-17(14)22)15(16(21)18)25(23,24)12-7-5-10(2)6-8-12/h5-9,11H,4,18H2,1-3H3,(H,20,22)