1-(1-adamantyl)-2-[(4-azanyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(4-azanyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-amino-6-(4-pyridyl)-1,3,5-triazin-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-amino-6-(4-pyridyl)-s-triazin-2-yl]thio]ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC(=NC(=N4)N)C5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC(=NC(=N4)N)C5=CC=NC=C5

InChI

InChI=1S/C20H23N5OS/c21-18-23-17(15-1-3-22-4-2-15)24-19(25-18)27-11-16(26)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,23,24,25)