6-(3,5-dimethylphenoxy)-5-nitro-N-propyl-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-propyl-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-propyl-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3/c1-4-5-16-14-13(19(20)21)15(18-9-17-14)22-12-7-10(2)6-11(3)8-12/h6-9H,4-5H2,1-3H3,(H,16,17,18)