5-nitro-N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-pentyl-2-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-pentyl-2-phenylpyrimidine-4,6-diamine Traditional Name: amyl-[6-(benzylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

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