ethyl 4-azanyl-2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O5S/c1-2-28-19(27)14-10-22-20(23-18(14)21)30-12-17(26)29-11-16(25)24-9-5-7-13-6-3-4-8-15(13)24/h3-4,6,8,10H,2,5,7,9,11-12H2,1H3,(H2,21,22,23)