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

Systemtic Name: N4-(3-chlorophenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C15H13ClN6O3 MolecularWeight: 360.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O3/c16-9-3-1-4-10(7-9)19-14-12(22(23)24)13(17)20-15(21-14)18-8-11-5-2-6-25-11/h1-7H,8H2,(H4,17,18,19,20,21)