4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-2-azanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-2-azanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-2-amino-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-(1-adamantyl)-2-oxoethyl]thio]-2-amino-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-2-amino-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-(1-adamantyl)-2-keto-ethyl]thio]-2-amino-6-(methylthio)pyrimidine-5-carbonitrile Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C18H22N4OS2/c1-24-15-13(8-19)16(22-17(20)21-15)25-9-14(23)18-5-10-2-11(6-18)4-12(3-10)7-18/h10-12H,2-7,9H2,1H3,(H2,20,21,22)