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

Systemtic Name: 6-pyridin-4-yl-2-[[3-[(pyrimidin-2-ylamino)methyl]phenyl]methylamino]-1H-pyrimidin-4-one Openeye Name: 6-(4-pyridyl)-2-[[3-[(pyrimidin-2-ylamino)methyl]phenyl]methylamino]-1H-pyrimidin-4-one CAS Name: 6-pyridin-4-yl-2-[[3-[(2-pyrimidinylamino)methyl]phenyl]methylamino]-1H-pyrimidin-4-one IUPAC Name: 6-pyridin-4-yl-2-[[3-[(pyrimidin-2-ylamino)methyl]phenyl]methylamino]-1H-pyrimidin-4-one Traditional Name: 6-(4-pyridyl)-2-[[3-[(2-pyrimidylamino)methyl]benzyl]amino]-1H-pyrimidin-4-one Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3)CNC4=NC=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3)CNC4=NC=CC=N4

InChI

InChI=1S/C21H19N7O/c29-19-12-18(17-5-9-22-10-6-17)27-21(28-19)26-14-16-4-1-3-15(11-16)13-25-20-23-7-2-8-24-20/h1-12H,13-14H2,(H,23,24,25)(H2,26,27,28,29)