N-(1-adamantyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O2/c29-28(30)20-21(26-23-10-15-7-16(11-23)9-17(8-15)12-23)24-14-25-22(20)27-6-5-18-3-1-2-4-19(18)13-27/h1-4,14-17H,5-13H2,(H,24,25,26)