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

Systemtic Name: N4-(furan-2-ylmethyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C16H16N6O4/c1-25-11-5-2-4-10(8-11)19-16-20-14(17)13(22(23)24)15(21-16)18-9-12-6-3-7-26-12/h2-8H,9H2,1H3,(H4,17,18,19,20,21)