2-(azepan-1-yl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-azepanyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(azepan-1-yl)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCCCC3)C#N

InChI

InChI=1S/C18H20N4O2/c1-24-14-8-6-13(7-9-14)16-15(12-19)17(23)21-18(20-16)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,20,21,23)