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

Systemtic Name: methyl (4S)-6-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-azepanylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-27-16-9-8-14(12-17(16)28-2)19-18(20(25)29-3)15(22-21(26)23-19)13-24-10-6-4-5-7-11-24/h8-9,12,19H,4-7,10-11,13H2,1-3H3,(H2,22,23,26)/t19-/m0/s1