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

Systemtic Name: N4-cycloheptyl-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-cycloheptyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c23-22(24)15-16(20-13-8-4-1-2-5-9-13)18-12-19-17(15)21-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H2,18,19,20,21)