N-(1-adamantyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(1-imidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C=CN=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C=CN=C5

InChI

InChI=1S/C17H20N6O2/c24-23(25)14-15(19-9-20-16(14)22-2-1-18-10-22)21-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9-13H,3-8H2,(H,19,20,21)