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

Systemtic Name: 2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one trihydrochloride Openeye Name: 2-[4-(3-methoxy-2-pyridyl)butylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one trihydrochloride CAS Name: 2-[4-(3-methoxy-2-pyridinyl)butylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one trihydrochloride Traditional Name: 5-[(2-keto-1H-pyridin-4-yl)methyl]-2-[4-(3-methoxy-2-pyridyl)butylamino]-1H-pyrimidin-6-one trihydrochloride Formula: C20H26Cl3N5O3 MolecularWeight: 490.81114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CCCCNC2=NC=C(C(=O)N2)CC3=CC(=O)NC=C3.Cl.Cl.Cl

Isomeric SMILES

COC1=C(N=CC=C1)CCCCNC2=NC=C(C(=O)N2)CC3=CC(=O)NC=C3.Cl.Cl.Cl

InChI

InChI=1S/C20H23N5O3.3ClH/c1-28-17-6-4-9-21-16(17)5-2-3-8-23-20-24-13-15(19(27)25-20)11-14-7-10-22-18(26)12-14;;;/h4,6-7,9-10,12-13H,2-3,5,8,11H2,1H3,(H,22,26)(H2,23,24,25,27);3*1H