N2-(3,4-dimethylphenyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3,4-dimethylphenyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3,4-dimethylphenyl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N)C

InChI

InChI=1S/C17H18N6O3/c1-10-5-6-12(8-11(10)2)20-17-21-15(18)14(23(24)25)16(22-17)19-9-13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H4,18,19,20,21,22)