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

Systemtic Name: N-(1-adamantyl)-6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(1-benzimidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(benzimidazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C=NC6=CC=CC=C65

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C=NC6=CC=CC=C65

InChI

InChI=1S/C21H22N6O2/c28-27(29)18-19(25-21-8-13-5-14(9-21)7-15(6-13)10-21)22-11-23-20(18)26-12-24-16-3-1-2-4-17(16)26/h1-4,11-15H,5-10H2,(H,22,23,25)