N2-(3,4-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(3,4-dimethylphenyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3)C

InChI

InChI=1S/C16H20N6O2/c1-10-5-6-12(9-11(10)2)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)