methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22FN3O3/c1-29-21(27)19-18(13-26-11-10-14-4-2-3-5-16(14)12-26)24-22(28)25-20(19)15-6-8-17(23)9-7-15/h2-9,20H,10-13H2,1H3,(H2,24,25,28)