N4-butyl-N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(2-methoxy-5-methylphenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(2-methoxy-5-methylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C17H23N5O3/c1-5-6-9-21(3)17-15(22(23)24)16(18-11-19-17)20-13-10-12(2)7-8-14(13)25-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19,20)