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

Systemtic Name: 2-(azepan-1-yl)-4-oxidanylidene-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(azepan-1-yl)-6-(4-isopropylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-azepanyl)-4-oxo-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(azepan-1-yl)-4-oxo-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(azepan-1-yl)-4-keto-6-p-cumenyl-1H-pyrimidine-5-carbonitrile Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O/c1-14(2)15-7-9-16(10-8-15)18-17(13-21)19(25)23-20(22-18)24-11-5-3-4-6-12-24/h7-10,14H,3-6,11-12H2,1-2H3,(H,22,23,25)