5-nitro-N2,N4-bis(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitro-N2,N4-bis(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2,N4-dibenzyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N2,N4-bis(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N,4-N-dibenzyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2/c19-16-15(24(25)26)17(20-11-13-7-3-1-4-8-13)23-18(22-16)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H4,19,20,21,22,23)