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

Systemtic Name: 2-[[2-(6-azanylhexoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[2-(6-aminohexoxy)phenyl]methylamino]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-(6-aminohexoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-(6-aminohexoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(6-aminohexoxy)benzyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c23-11-5-1-2-6-14-29-20-8-4-3-7-18(20)16-25-22-26-19(15-21(28)27-22)17-9-12-24-13-10-17/h3-4,7-10,12-13,15H,1-2,5-6,11,14,16,23H2,(H2,25,26,27,28)