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

Systemtic Name: N2-(furan-2-ylmethyl)-N4-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(2-furylmethyl)-5-nitro-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N2-(2-furanylmethyl)-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2-furfurylamino)-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

InChI

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