N-butyl-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H23N5O2 MolecularWeight: 293.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C

InChI

InChI=1S/C14H23N5O2/c1-3-4-7-15-13-12(19(20)21)14(17-10-16-13)18-8-5-6-11(2)9-18/h10-11H,3-9H2,1-2H3,(H,15,16,17)