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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]methylamino]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[3-(aminomethyl)phenyl]methylamino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[3-(aminomethyl)phenyl]methylamino]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[3-(aminomethyl)phenyl]methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[3-(aminomethyl)benzyl]amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1NCC2=CC=CC(=C2)CN)C3=CC=NC=C3

Isomeric SMILES

CN1C(=O)C=C(N=C1NCC2=CC=CC(=C2)CN)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O/c1-23-17(24)10-16(15-5-7-20-8-6-15)22-18(23)21-12-14-4-2-3-13(9-14)11-19/h2-10H,11-12,19H2,1H3,(H,21,22)