N-(1-adamantyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 1-adamantyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)SC5=CC=CC6=C5N=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)SC5=CC=CC6=C5N=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O2S/c29-28(30)20-21(27-23-10-14-7-15(11-23)9-16(8-14)12-23)25-13-26-22(20)31-18-5-1-3-17-4-2-6-24-19(17)18/h1-6,13-16H,7-12H2,(H,25,26,27)