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

Systemtic Name: 2-azanyl-1-[3-(dimethylamino)propyl]-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-[3-(dimethylamino)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-[3-(dimethylamino)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-[3-(dimethylamino)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-[3-(dimethylamino)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S/c1-21(2)9-6-10-22-14-13(11-19-20-17(14)23)15(16(22)18)26(24,25)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,18H2,1-2H3,(H,20,23)