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

Systemtic Name: N2-(3-chlorophenyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-chlorophenyl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chlorophenyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-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(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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