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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-propyl-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-propyl-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)OC2=CC(=C(C=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)OC2=CC(=C(C=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O3/c1-3-6-16-13-12(19(20)21)14(18-8-17-13)22-10-4-5-11(15)9(2)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,16,17,18)