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

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN6O3/c17-11-5-3-10(4-6-11)8-20-16-21-14(18)13(23(24)25)15(22-16)19-9-12-2-1-7-26-12/h1-7H,8-9H2,(H4,18,19,20,21,22)