ethyl (4S)-4-(4-hex-1-ynylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-hex-1-ynylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-hex-1-ynylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-hex-1-ynylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-hex-1-ynylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-hex-1-ynylphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C20H24N2O3/c1-4-6-7-8-9-15-10-12-16(13-11-15)18-17(19(23)25-5-2)14(3)21-20(24)22-18/h10-13,18H,4-7H2,1-3H3,(H2,21,22,24)/t18-/m0/s1