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

Systemtic Name: 2-[4-(3-methyl-5-nitro-pyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-methyl-5-nitro-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(3-methyl-5-nitro-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-methyl-5-nitropyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-methyl-5-nitro-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-14-9-18(27(29)30)13-24-19(14)5-3-4-8-22-21-25-12-17(20(28)26-21)10-16-7-6-15(2)23-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,22,25,26,28)