ethyl 2-(4-octoxyphenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-octoxyphenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-octoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-octoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(4-octoxyphenyl)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4/c1-3-5-6-7-8-9-14-27-17-12-10-16(11-13-17)19-22-15-18(20(24)23-19)21(25)26-4-2/h10-13,15H,3-9,14H2,1-2H3,(H,22,23,24)