N4-(1-adamantyl)-N6-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O2/c27-26(28)18-19(24-17-5-3-1-2-4-6-17)22-13-23-20(18)25-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,1-12H2,(H2,22,23,24,25)