2-azanyl-3-(4-methylphenyl)sulfonyl-1-(5-oxidanylpentyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(5-oxidanylpentyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(5-hydroxypentyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(5-hydroxypentyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(5-hydroxypentyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(5-hydroxypentyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H22N4O4S MolecularWeight: 390.45668

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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)CCCCCO)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-12-5-7-13(8-6-12)27(25,26)16-14-11-20-21-18(24)15(14)22(17(16)19)9-3-2-4-10-23/h5-8,11,23H,2-4,9-10,19H2,1H3,(H,21,24)