N4-cyclopentyl-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-11-6-5-9-14(12(11)2)21-17-15(22(23)24)16(18-10-19-17)20-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,18,19,20,21)