N2-(2,5-dimethoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(2,5-dimethoxyphenyl)amine Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H20N6O4/c1-25-10-5-6-12(26-2)11(9-10)18-16-19-14(17)13(22(23)24)15(20-16)21-7-3-4-8-21/h5-6,9H,3-4,7-8H2,1-2H3,(H3,17,18,19,20)