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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(aminomethyl)phenyl]methylamino]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[3-(aminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(aminomethyl)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(aminomethyl)benzyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C17H17N5O MolecularWeight: 307.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O/c18-10-12-2-1-3-13(8-12)11-20-17-21-15(9-16(23)22-17)14-4-6-19-7-5-14/h1-9H,10-11,18H2,(H2,20,21,22,23)