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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-11-5-6-13(9-12(11)2)23-16-14(20(21)22)15(17-10-18-16)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3