N4-butan-2-yl-N6-cyclopentyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-cyclopentyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-cyclopentyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-cyclopentyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2CCCC2

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2CCCC2

InChI

InChI=1S/C13H21N5O2/c1-3-9(2)16-12-11(18(19)20)13(15-8-14-12)17-10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)