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

Systemtic Name: N4-(furan-2-ylmethyl)-N2-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-5-nitro-N2-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-(p-tolyl)amine Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O3/c1-10-4-6-11(7-5-10)19-16-20-14(17)13(22(23)24)15(21-16)18-9-12-3-2-8-25-12/h2-8H,9H2,1H3,(H4,17,18,19,20,21)