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

Systemtic Name: 2-[[3-(3-azanylpropoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(3-aminopropoxy)phenyl]methylamino]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[3-(3-aminopropoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(3-aminopropoxy)phenyl]methylamino]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(3-aminopropoxy)benzyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c20-7-2-10-26-16-4-1-3-14(11-16)13-22-19-23-17(12-18(25)24-19)15-5-8-21-9-6-15/h1,3-6,8-9,11-12H,2,7,10,13,20H2,(H2,22,23,24,25)