2-methyl-5-nitro-6-(pyridin-3-ylmethylamino)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(pyridin-3-ylmethylamino)-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(3-pyridylmethylamino)-1H-pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(3-pyridinylmethylamino)-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-nitro-6-(pyridin-3-ylmethylamino)-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(3-pyridylmethylamino)-1H-pyrimidin-4-one Formula: C11H11N5O3 MolecularWeight: 261.23674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O3/c1-7-14-10(9(16(18)19)11(17)15-7)13-6-8-3-2-4-12-5-8/h2-5H,6H2,1H3,(H2,13,14,15,17)