N4-(2,5-dimethoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-(1-pyrrolidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-2-pyrrolidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-pyrrolidino-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCC3

InChI

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