4-azanyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidine-5-carbonitrile Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H17N5OS/c1-9-2-4-18(5-3-9)11(19)8-20-13-16-7-10(6-14)12(15)17-13/h7,9H,2-5,8H2,1H3,(H2,15,16,17)