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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=C(C(=O)N3)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=C(C(=O)N3)C#N

InChI

InChI=1S/C14H12N4O/c15-7-12-8-16-14(17-13(12)19)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,8H,5-6,9H2,(H,16,17,19)