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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

InChI

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