prop-2-enyl (4S)-6-methyl-2-oxidanylidene-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-methyl-2-oxidanylidene-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(3-mesityl-1-phenyl-pyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC=C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2[C@H]3C(=C(NC(=O)N3)C)C(=O)OCC=C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O3/c1-6-12-34-26(32)23-19(5)28-27(33)29-24(23)21-15-31(20-10-8-7-9-11-20)30-25(21)22-17(3)13-16(2)14-18(22)4/h6-11,13-15,24H,1,12H2,2-5H3,(H2,28,29,33)/t24-/m0/s1