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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3S/c1-5-34-24(33)19-15-29-25(30-23(19)28)35-16-22(32)31-21-14-10-9-13-20(21)27(4,17-26(31,2)3)18-11-7-6-8-12-18/h6-15H,5,16-17H2,1-4H3,(H2,28,29,30)