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

Systemtic Name: N6-butyl-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C16H21N5O3/c1-4-5-8-17-15-14(21(22)23)16(19-10-18-15)20-12-9-11(2)6-7-13(12)24-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19,20)