2-[4-(3-chloranylpyridin-2-yl)butylamino]-5-[oxidanyl(pyridin-4-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(3-chloranylpyridin-2-yl)butylamino]-5-[oxidanyl(pyridin-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-chloro-2-pyridyl)butylamino]-5-[hydroxy(4-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(3-chloro-2-pyridinyl)butylamino]-5-[hydroxy(pyridin-4-yl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-chloropyridin-2-yl)butylamino]-5-[hydroxy(pyridin-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-chloro-2-pyridyl)butylamino]-5-[hydroxy(4-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CCCCNC2=NC=C(C(=O)N2)C(C3=CC=NC=C3)O)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CCCCNC2=NC=C(C(=O)N2)C(C3=CC=NC=C3)O)Cl

InChI

InChI=1S/C19H20ClN5O2/c20-15-4-3-9-22-16(15)5-1-2-8-23-19-24-12-14(18(27)25-19)17(26)13-6-10-21-11-7-13/h3-4,6-7,9-12,17,26H,1-2,5,8H2,(H2,23,24,25,27)