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

Systemtic Name: N6-(1-adamantyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N5O2/c1-25(17-5-3-2-4-6-17)20-18(26(27)28)19(22-13-23-20)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,13-16H,7-12H2,1H3,(H,22,23,24)