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

Systemtic Name: 2-azanyl-1-(2-dimethylaminoethyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(2-dimethylaminoethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(2-dimethylaminoethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(2-dimethylaminoethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(2-dimethylaminoethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5O3S/c1-20(2)8-9-21-13-12(10-18-19-16(13)22)14(15(21)17)25(23,24)11-6-4-3-5-7-11/h3-7,10H,8-9,17H2,1-2H3,(H,19,22)