2-cyanoethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC#N

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC#N

InChI

InChI=1S/C16H14BrN3O5/c1-8-13(15(21)23-4-2-3-18)14(20-16(22)19-8)9-5-11-12(6-10(9)17)25-7-24-11/h5-6,14H,2,4,7H2,1H3,(H2,19,20,22)/t14-/m1/s1