2-(octylamino)-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(octylamino)-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(octylamino)-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(octylamino)-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(octylamino)-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(octylamino)-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O/c1-2-3-4-5-6-7-11-21-18-22-16(14-9-8-10-20-13-14)15(12-19)17(24)23-18/h8-10,13H,2-7,11H2,1H3,(H2,21,22,23,24)