ethyl (4S)-4-(3-cyanophenyl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3-cyanophenyl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(3-cyanophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-cyanophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-cyanophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-cyanophenyl)-2-keto-1,3,6-trimethyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=CC(=C2)C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N([C@H]1C2=CC=CC(=C2)C#N)C)C)C

InChI

InChI=1S/C17H19N3O3/c1-5-23-16(21)14-11(2)19(3)17(22)20(4)15(14)13-8-6-7-12(9-13)10-18/h6-9,15H,5H2,1-4H3/t15-/m0/s1