N6-butan-2-yl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-butan-2-yl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-butan-2-yl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-3-17(2)25-21-20(27(28)29)22(24-16-23-21)26(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,16-17H,3,14-15H2,1-2H3,(H,23,24,25)