N-(1-adamantyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-14(2)18-3-5-19(6-4-18)30-22-20(27(28)29)21(24-13-25-22)26-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17H,7-12H2,1-2H3,(H,24,25,26)