ethyl 6-[[(3-ethynylphenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(3-ethynylphenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-ethynylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-ethynylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-ethynylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-ethynylanilino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CNC2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H17N3O3/c1-3-11-6-5-7-12(8-11)17-10-14-13(15(20)22-4-2)9-18-16(21)19-14/h1,5-8,17H,4,9-10H2,2H3,(H2,18,19,21)