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

Systemtic Name: ethyl 4-azanyl-2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-3-26-18(25)14-11-21-19(22-16(14)20)27-12(2)17(24)23-10-6-8-13-7-4-5-9-15(13)23/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,20,21,22)