N4-cycloheptyl-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c23-22(24)14-15(20-12-6-3-1-2-4-7-12)18-11-19-16(14)21-13-8-5-9-17-10-13/h5,8-12H,1-4,6-7H2,(H2,18,19,20,21)