N2-[(2S)-butan-2-yl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C13H18N6O3 MolecularWeight: 306.32042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N6O3/c1-3-8(2)16-13-17-11(14)10(19(20)21)12(18-13)15-7-9-5-4-6-22-9/h4-6,8H,3,7H2,1-2H3,(H4,14,15,16,17,18)/t8-/m0/s1