N-butyl-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17ClN4O3 MolecularWeight: 336.77348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)OC2=CC(=C(C=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)OC2=CC(=C(C=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN4O3/c1-3-4-7-17-14-13(20(21)22)15(19-9-18-14)23-11-5-6-12(16)10(2)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19)