ethyl 4-[4-[3-(diethylamino)-2-oxidanyl-propoxy]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[3-(diethylamino)-2-oxidanyl-propoxy]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)O

Isomeric SMILES

CCN(CC)CC(COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)O

InChI

InChI=1S/C21H31N3O5/c1-5-24(6-2)12-16(25)13-29-17-10-8-15(9-11-17)19-18(20(26)28-7-3)14(4)22-21(27)23-19/h8-11,16,19,25H,5-7,12-13H2,1-4H3,(H2,22,23,27)