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

Systemtic Name: N-(1-adamantyl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(1-benzotriazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(benzotriazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C20H21N7O2/c28-27(29)17-18(23-20-8-12-5-13(9-20)7-14(6-12)10-20)21-11-22-19(17)26-16-4-2-1-3-15(16)24-25-26/h1-4,11-14H,5-10H2,(H,21,22,23)