[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C23H22N4O3S/c1-15-13-16(2)25-23(24-15)26-21(28)14-30-22(29)11-12-27-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)27/h3-10,13H,11-12,14H2,1-2H3,(H,24,25,26,28)