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

Systemtic Name: 2-azanyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(3-pyridylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(3-pyridinylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(pyridin-3-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(3-pyridylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CN=CC=C4)N

InChI

InChI=1S/C18H15N5O3S/c19-17-16(27(25,26)13-6-2-1-3-7-13)14-10-21-22-18(24)15(14)23(17)11-12-5-4-8-20-9-12/h1-10H,11,19H2,(H,22,24)