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

Systemtic Name: 3-methyl-2-[[3-(3-oxidanylpropoxy)phenyl]methylamino]-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[3-(3-hydroxypropoxy)phenyl]methylamino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[3-(3-hydroxypropoxy)phenyl]methylamino]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[3-(3-hydroxypropoxy)phenyl]methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[3-(3-hydroxypropoxy)benzyl]amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-24-19(26)13-18(16-6-8-21-9-7-16)23-20(24)22-14-15-4-2-5-17(12-15)27-11-3-10-25/h2,4-9,12-13,25H,3,10-11,14H2,1H3,(H,22,23)