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

Systemtic Name: 2-azanyl-3-(phenylsulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(3-isopropoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(3-isopropoxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4S/c1-12(2)26-10-6-9-22-15-14(11-20-21-18(15)23)16(17(22)19)27(24,25)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10,19H2,1-2H3,(H,21,23)