methyl (4S)-6-[(cyclohexylamino)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-[(cyclohexylamino)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(cyclohexylamino)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(cyclohexylamino)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-[(cyclohexylamino)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(cyclohexylamino)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CNC3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)CNC3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-26-15-10-8-13(9-11-15)18-17(19(24)27-2)16(22-20(25)23-18)12-21-14-6-4-3-5-7-14/h8-11,14,18,21H,3-7,12H2,1-2H3,(H2,22,23,25)/t18-/m0/s1