ethyl (4S)-4-(3-bromophenyl)-6-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3-bromophenyl)-6-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(3-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-bromophenyl)-2-keto-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19BrN2O4/c1-3-27-19(24)16-17(12-7-9-15(26-2)10-8-12)22-20(25)23-18(16)13-5-4-6-14(21)11-13/h4-11,18H,3H2,1-2H3,(H2,22,23,25)/t18-/m0/s1