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

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(p-tolylsulfonyl)-1-(3-pyridylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(3-pyridinylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(3-pyridylmethyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C19H17N5O3S MolecularWeight: 395.43498

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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)CC4=CN=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CN=CC=C4)N

InChI

InChI=1S/C19H17N5O3S/c1-12-4-6-14(7-5-12)28(26,27)17-15-10-22-23-19(25)16(15)24(18(17)20)11-13-3-2-8-21-9-13/h2-10H,11,20H2,1H3,(H,23,25)