methyl (4S)-6-(azepan-1-ylmethyl)-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-26-15-9-7-8-14(12-15)18-17(19(24)27-2)16(21-20(25)22-18)13-23-10-5-3-4-6-11-23/h7-9,12,18H,3-6,10-11,13H2,1-2H3,(H2,21,22,25)/t18-/m0/s1