N-(1-adamantyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS/c18-7-13-8-20-16(21-15(13)19)24-9-14(23)22-17-4-10-1-11(5-17)3-12(2-10)6-17/h8,10-12H,1-6,9H2,(H,22,23)(H2,19,20,21)