4-(3,5-dimethylphenoxy)-5-nitro-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-pyrrolidino-pyrimidine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)C

InChI

InChI=1S/C16H18N4O3/c1-11-7-12(2)9-13(8-11)23-16-14(20(21)22)15(17-10-18-16)19-5-3-4-6-19/h7-10H,3-6H2,1-2H3