ethyl 6-hept-1-ynyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-hept-1-ynyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-hept-1-ynyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-hept-1-ynyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hept-1-ynyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-hept-1-ynyl-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCCC#CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O3/c1-4-6-7-8-9-10-17-18(20(24)26-5-2)19(23-21(25)22-17)16-13-11-15(3)12-14-16/h11-14,19H,4-8H2,1-3H3,(H2,22,23,25)