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

Systemtic Name: N6-butan-2-yl-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-butan-2-yl-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-5-13(4)20-16-15(22(23)24)17(19-11-18-16)21(6-2)14-9-7-8-12(3)10-14/h7-11,13H,5-6H2,1-4H3,(H,18,19,20)