N4-(furan-2-ylmethyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N4-(furan-2-ylmethyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(2-furylmethyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(furan-2-ylmethyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-benzyl-methyl-amine Formula: C17H18N6O3 MolecularWeight: 354.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C17H18N6O3/c1-22(11-12-6-3-2-4-7-12)17-20-15(18)14(23(24)25)16(21-17)19-10-13-8-5-9-26-13/h2-9H,10-11H2,1H3,(H3,18,19,20,21)