ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-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=CN=C(NC1=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N3O3/c1-2-22-15(21)13-9-17-16(18-14(13)20)19-8-7-11-5-3-4-6-12(11)10-19/h3-6,9H,2,7-8,10H2,1H3,(H,17,18,20)