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

Systemtic Name: N6-butyl-5-nitro-2-phenyl-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-butyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-2-phenyl-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-butyl-5-nitro-2-phenylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(butylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-2-3-14-22-20-18(26(27)28)21(23-15-16-10-6-4-7-11-16)25-19(24-20)17-12-8-5-9-13-17/h4-13H,2-3,14-15H2,1H3,(H2,22,23,24,25)