6-(4-dimethylaminophenyl)-2-(octylamino)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-dimethylaminophenyl)-2-(octylamino)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-dimethylaminophenyl)-2-(octylamino)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-dimethylaminophenyl)-2-(octylamino)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-dimethylaminophenyl)-2-(octylamino)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-dimethylaminophenyl)-4-keto-2-(octylamino)-1H-pyrimidine-5-carbonitrile Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CCCCCCCCNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)N(C)C)C#N

InChI

InChI=1S/C21H29N5O/c1-4-5-6-7-8-9-14-23-21-24-19(18(15-22)20(27)25-21)16-10-12-17(13-11-16)26(2)3/h10-13H,4-9,14H2,1-3H3,(H2,23,24,25,27)