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

Systemtic Name: N-(1-adamantyl)-6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-bromophenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(4-bromophenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-bromophenoxy)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3/c21-15-1-3-16(4-2-15)28-19-17(25(26)27)18(22-11-23-19)24-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,22,23,24)