5-nitro-N4,N6-dipentyl-2-phenyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6-dipentyl-2-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6-dipentyl-2-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-dipentyl-2-phenylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-dipentyl-2-phenylpyrimidine-4,6-diamine Traditional Name: amyl-[6-(amylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=NC(=N1)C2=CC=CC=C2)NCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=NC(=N1)C2=CC=CC=C2)NCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O2/c1-3-5-10-14-21-19-17(25(26)27)20(22-15-11-6-4-2)24-18(23-19)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3,(H2,21,22,23,24)