[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide CAS Name: [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-(4,6-dimethyl-2-pyrimidinyl)cyanamide IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide Traditional Name: [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C#N)C

InChI

InChI=1S/C21H16ClN5OS/c1-13-9-14(2)25-21(24-13)26(12-23)11-20(28)27-16-5-3-4-6-18(16)29-19-8-7-15(22)10-17(19)27/h3-10H,11H2,1-2H3