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

Systemtic Name: 2-azanyl-1-(3-methoxypropyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(3-methoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(3-methoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(3-methoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(3-methoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4S/c1-24-9-5-8-20-13-12(10-18-19-16(13)21)14(15(20)17)25(22,23)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,17H2,1H3,(H,19,21)