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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3-methylpiperidino)ethanone Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H19N5OS/c1-8-3-2-4-17(6-8)11(18)7-19-12-15-9(13)5-10(14)16-12/h5,8H,2-4,6-7H2,1H3,(H4,13,14,15,16)