methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-14-18(20(26)28-2)19(23-21(27)22-14)15-7-9-16(10-8-15)29-13-17(25)24-11-5-3-4-6-12-24/h7-10,19H,3-6,11-13H2,1-2H3,(H2,22,23,27)