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

Systemtic Name: 2-methoxyethyl 4-methyl-6-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-14-17(22(29)31-13-12-30-2)18(26-19(24-14)15-8-4-3-5-9-15)21(28)25-16-10-6-7-11-23-20(16)27/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,23,27)(H,25,28)/t16-/m0/s1