ethyl 4-azanyl-2-[2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN5O5S MolecularWeight: 425.84674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H16ClN5O5S/c1-2-26-15(25)9-6-20-16(22-14(9)18)28-8-12(24)27-7-11(23)21-10-4-3-5-19-13(10)17/h3-6H,2,7-8H2,1H3,(H,21,23)(H2,18,20,22)