N4-butan-2-yl-N6-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-methyl-2-pyridyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC=N2)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC=N2)C

InChI

InChI=1S/C14H18N6O2/c1-4-10(3)18-13-11(20(21)22)14(17-8-16-13)19-12-9(2)6-5-7-15-12/h5-8,10H,4H2,1-3H3,(H2,15,16,17,18,19)