prop-2-enyl 4-methyl-6-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-6-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-[[(3S)-2-oxoazepan-3-yl]carbamoyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-6-[[(3S)-2-oxoazepan-3-yl]carbamoyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCC=C)C(=O)NC2CCCCNC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCC=C)C(=O)N[C@H]2CCCCNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-3-13-30-22(29)17-14(2)24-19(15-9-5-4-6-10-15)26-18(17)21(28)25-16-11-7-8-12-23-20(16)27/h3-6,9-10,16H,1,7-8,11-13H2,2H3,(H,23,27)(H,25,28)/t16-/m0/s1