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

Systemtic Name: 2-azanyl-1-(3-methoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(3-methoxypropyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(3-methoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(3-methoxypropyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(3-methoxypropyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C17H20N4O4S MolecularWeight: 376.4301

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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)CCCOC)N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-11-4-6-12(7-5-11)26(23,24)15-13-10-19-20-17(22)14(13)21(16(15)18)8-3-9-25-2/h4-7,10H,3,8-9,18H2,1-2H3,(H,20,22)