5-nitro-N4,N6-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N6-dibenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-dibenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c24-23(25)16-17(19-11-14-7-3-1-4-8-14)21-13-22-18(16)20-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,19,20,21,22)