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

Systemtic Name: N-(1-adamantyl)-6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(4-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N4O4/c1-28-16-2-4-17(5-3-16)29-20-18(25(26)27)19(22-12-23-20)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H,22,23,24)