N-(1-adamantyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N6O2/c1-11-3-12(2)24(23-11)18-16(25(26)27)17(20-10-21-18)22-19-7-13-4-14(8-19)6-15(5-13)9-19/h3,10,13-15H,4-9H2,1-2H3,(H,20,21,22)