6-(cyclohexylsulfanylmethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 6-(cyclohexylsulfanylmethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-(cyclohexylsulfanylmethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 6-[(cyclohexylthio)methyl]-7-(2,2-dimethylpropyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-(cyclohexylsulfanylmethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[(cyclohexylthio)methyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C19H26N4S MolecularWeight: 342.50154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CSC3CCCCC3

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CSC3CCCCC3

InChI

InChI=1S/C19H26N4S/c1-19(2,3)13-23-15(12-24-16-7-5-4-6-8-16)9-14-11-21-17(10-20)22-18(14)23/h9,11,16H,4-8,12-13H2,1-3H3