N-(1-adamantyl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]acetamide Formula: C25H32N6O2S MolecularWeight: 480.62558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C6

InChI

InChI=1S/C25H32N6O2S/c32-21(30-25-13-17-10-18(14-25)12-19(11-17)15-25)16-34-24-28-22(26-20-4-2-1-3-5-20)27-23(29-24)31-6-8-33-9-7-31/h1-5,17-19H,6-16H2,(H,30,32)(H,26,27,28,29)