ethyl 4-azanyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H18N4O3S2/c1-2-28-20(27)13-11-23-21(24-19(13)22)29-12-18(26)25-14-7-3-5-9-16(14)30-17-10-6-4-8-15(17)25/h3-11H,2,12H2,1H3,(H2,22,23,24)