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

Systemtic Name: 7-(2,2-dimethylpropyl)-6-(pyridin-2-ylsulfanylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-(2-pyridylsulfanylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[(2-pyridinylthio)methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-(pyridin-2-ylsulfanylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-neopentyl-6-[(2-pyridylthio)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CSC3=CC=CC=N3

InChI

InChI=1S/C18H19N5S/c1-18(2,3)12-23-14(11-24-16-6-4-5-7-20-16)8-13-10-21-15(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3