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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H18N4O/c1-14-6-8-16(9-7-14)19-18(12-22)20(26)24-21(23-19)25-11-10-15-4-2-3-5-17(15)13-25/h2-9H,10-11,13H2,1H3,(H,23,24,26)