N4-butan-2-yl-N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-methyl-phenyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C15H18ClN5O2 MolecularWeight: 335.78872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C15H18ClN5O2/c1-4-10(3)19-14-13(21(22)23)15(18-8-17-14)20-12-7-11(16)6-5-9(12)2/h5-8,10H,4H2,1-3H3,(H2,17,18,19,20)