2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-propan-2-yl-pyrimidine-4-carboxylate

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-propan-2-yl-pyrimidine-4-carboxylate Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-isopropyl-pyrimidine-4-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-propan-2-yl-4-pyrimidinecarboxylate IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-propan-2-ylpyrimidine-4-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-isopropyl-pyrimidine-4-carboxylate Formula: C17H18N3O2- MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H19N3O2/c1-11(2)14-9-15(16(21)22)19-17(18-14)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)/p-1