2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethyl-1-piperidyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2-ethyl-1-piperidinyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2-ethylpiperidino)ethanone Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H21N5OS/c1-2-9-5-3-4-6-18(9)12(19)8-20-13-16-10(14)7-11(15)17-13/h7,9H,2-6,8H2,1H3,(H4,14,15,16,17)