4,6-bis(azanyl)-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-diamino-2-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-diamino-2-[[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-diamino-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 4,6-diamino-2-[[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]nicotinonitrile Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C15H21N5OS/c1-9-3-5-20(6-4-9)15(21)10(2)22-14-11(8-16)12(17)7-13(18)19-14/h7,9-10H,3-6H2,1-2H3,(H4,17,18,19)/t10-/m0/s1