2-azanyl-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-2-25-21(28)17-15(19(24-25)27(29)30)16(18(22)26(17)12-8-4-3-5-9-12)20-23-13-10-6-7-11-14(13)31-20/h6-7,10-12H,2-5,8-9,22H2,1H3