2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(1-cyanocycloheptyl)ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H20N6OS MolecularWeight: 320.4132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H20N6OS/c15-9-14(5-3-1-2-4-6-14)20-12(21)8-22-13-18-10(16)7-11(17)19-13/h7H,1-6,8H2,(H,20,21)(H4,16,17,18,19)