4-(phenylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(phenylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(phenylmethylthio)-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7H-pyrrolo[2,3-d]pyrimidine Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CN3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CN3

InChI

InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)8-17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H,14,15,16)