2-[[3-(butylaminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[[3-(butylaminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(butylaminomethyl)phenyl]methylamino]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[3-(butylaminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(butylaminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(butylaminomethyl)benzyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CCCCNCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O/c1-2-3-9-23-14-16-5-4-6-17(12-16)15-24-21-25-19(13-20(27)26-21)18-7-10-22-11-8-18/h4-8,10-13,23H,2-3,9,14-15H2,1H3,(H2,24,25,26,27)