N4-cycloheptyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O2/c25-24(26)17-18(20-13-12-15-8-4-3-5-9-15)21-14-22-19(17)23-16-10-6-1-2-7-11-16/h3-5,8-9,14,16H,1-2,6-7,10-13H2,(H2,20,21,22,23)