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

Systemtic Name: N-(1-adamantyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c28-27(29)19-20(25-22-10-14-7-15(11-22)9-16(8-14)12-22)23-13-24-21(19)26-6-5-17-3-1-2-4-18(17)26/h1-4,13-16H,5-12H2,(H,23,24,25)