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

Systemtic Name: ethyl 4-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H18N4O2/c1-2-22-15(21)13-9-18-16(19-14(13)17)20-8-7-11-5-3-4-6-12(11)10-20/h3-6,9H,2,7-8,10H2,1H3,(H2,17,18,19)