N-(1-adamantyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-12-4-16(2-3-17(12)22)29-20-18(26(27)28)19(23-11-24-20)25-21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15H,5-10H2,1H3,(H,23,24,25)