N4-cyclopentyl-N6-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-11-7-8-12(2)14(9-11)21-17-15(22(23)24)16(18-10-19-17)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,18,19,20,21)