[azanyl-[(2,4-dimethoxyphenyl)amino]methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]azanium

Systemtic Name: [azanyl-[(2,4-dimethoxyphenyl)amino]methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]azanium Openeye Name: [amino-(2,4-dimethoxyanilino)methylene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]ammonium CAS Name: [amino-(2,4-dimethoxyanilino)methylidene]-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]ammonium IUPAC Name: [amino-(2,4-dimethoxyanilino)methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]azanium Traditional Name: [amino-(2,4-dimethoxyanilino)methylene]-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]ammonium Formula: C21H21N6O3S2+ MolecularWeight: 469.55984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=[NH+]C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=[NH+]C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)N)OC

InChI

InChI=1S/C21H20N6O3S2/c1-29-13-7-8-14(16(10-13)30-2)24-19(22)27-20-23-12(9-18(28)26-20)11-31-21-25-15-5-3-4-6-17(15)32-21/h3-10H,11H2,1-2H3,(H4,22,23,24,26,27,28)/p+1