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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-methyl-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-methyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S/c1-24-20(27)16-14(18(23-24)26(28)29)15(17(21)25(16)11-7-3-2-4-8-11)19-22-12-9-5-6-10-13(12)30-19/h5-6,9-11H,2-4,7-8,21H2,1H3