ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-tert-butylphenyl)-4-(chloromethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-4-(chloromethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-4-(chloromethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-tert-butylphenyl)-4-(chloromethyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C(C)(C)C)CC=C)CCl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C(C)(C)C)CC=C)CCl

InChI

InChI=1S/C21H27ClN2O3/c1-6-12-24-16(13-22)17(19(25)27-7-2)18(23-20(24)26)14-8-10-15(11-9-14)21(3,4)5/h6,8-11,18H,1,7,12-13H2,2-5H3,(H,23,26)