N4-butan-2-yl-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-[2-(1-cyclohexenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CCCCC2

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CCCCC2

InChI

InChI=1S/C16H25N5O2/c1-3-12(2)20-16-14(21(22)23)15(18-11-19-16)17-10-9-13-7-5-4-6-8-13/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,18,19,20)