2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3,5-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3,5-dimethylpiperidino)ethanone Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C13H21N5OS/c1-8-3-9(2)6-18(5-8)12(19)7-20-13-16-10(14)4-11(15)17-13/h4,8-9H,3,5-7H2,1-2H3,(H4,14,15,16,17)