3-methyl-2-(octylamino)-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 3-methyl-2-(octylamino)-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 3-methyl-2-(octylamino)-6-(4-pyridyl)pyrimidin-4-one CAS Name: 3-methyl-2-(octylamino)-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 3-methyl-2-(octylamino)-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 3-methyl-2-(octylamino)-6-(4-pyridyl)pyrimidin-4-one Formula: C18H26N4O MolecularWeight: 314.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=CC(=O)N1C)C2=CC=NC=C2

Isomeric SMILES

CCCCCCCCNC1=NC(=CC(=O)N1C)C2=CC=NC=C2

InChI

InChI=1S/C18H26N4O/c1-3-4-5-6-7-8-11-20-18-21-16(14-17(23)22(18)2)15-9-12-19-13-10-15/h9-10,12-14H,3-8,11H2,1-2H3,(H,20,21)