N-(3-ethynylphenyl)-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-5-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-ethynylphenyl)-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[5-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CNC2=C1C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CSC1=CNC2=C1C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C15H12N4S/c1-3-10-5-4-6-11(7-10)19-15-13-12(20-2)8-16-14(13)17-9-18-15/h1,4-9H,2H3,(H2,16,17,18,19)