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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-(diethylaminomethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-tert-butylphenyl)-4-(diethylaminomethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-4-(diethylaminomethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-4-(diethylaminomethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-tert-butylphenyl)-4-(diethylaminomethyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(NC(=O)N1CC=C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C(NC(=O)N1CC=C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H37N3O3/c1-8-16-28-20(17-27(9-2)10-3)21(23(29)31-11-4)22(26-24(28)30)18-12-14-19(15-13-18)25(5,6)7/h8,12-15,22H,1,9-11,16-17H2,2-7H3,(H,26,30)