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

Systemtic Name: N-(1-adamantyl)-5-nitro-6-phenoxy-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-5-nitro-6-phenoxy-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-phenoxy-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-5-nitro-6-phenoxypyrimidin-4-amine Traditional Name: 1-adamantyl-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c25-24(26)17-18(21-12-22-19(17)27-16-4-2-1-3-5-16)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,21,22,23)