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

Systemtic Name: 2-[4-(3-chloranylpyridin-2-yl)butylamino]-5-[(5-methoxy-6-oxidanylidene-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-chloro-2-pyridyl)butylamino]-5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(3-chloro-2-pyridinyl)butylamino]-5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-chloropyridin-2-yl)butylamino]-5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-chloro-2-pyridyl)butylamino]-5-[(6-keto-5-methoxy-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC1=O)CC2=CN=C(NC2=O)NCCCCC3=C(C=CC=N3)Cl

Isomeric SMILES

COC1=CC(=CNC1=O)CC2=CN=C(NC2=O)NCCCCC3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H22ClN5O3/c1-29-17-10-13(11-24-19(17)28)9-14-12-25-20(26-18(14)27)23-7-3-2-6-16-15(21)5-4-8-22-16/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H,24,28)(H2,23,25,26,27)