methyl (6S)-3-but-2-ynyl-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-but-2-ynyl-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-but-2-ynyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-but-2-ynyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-but-2-ynyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-but-2-ynyl-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC#CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H18N2O3/c1-4-5-11-19-12(2)14(16(20)22-3)15(18-17(19)21)13-9-7-6-8-10-13/h6-10,15H,11H2,1-3H3,(H,18,21)/t15-/m0/s1