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

Systemtic Name: N4,N6-dicyclopentyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine Openeye Name: N4,N6-dicyclopentyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine CAS Name: N4,N6-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(cyclopentylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NC4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NC4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O2/c26-25(27)17-19(21-15-10-4-5-11-15)23-18(14-8-2-1-3-9-14)24-20(17)22-16-12-6-7-13-16/h1-3,8-9,15-16H,4-7,10-13H2,(H2,21,22,23,24)