5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 5-[(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylthio)methyl]-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 5-[(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethylthio)methyl]-7H-pyrrolo[2,3-d]pyrimidine Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CN=CN=C2N1)CSCC3=CNC4=NC=NC=C34

Isomeric SMILES

C1=C(C2=CN=CN=C2N1)CSCC3=CNC4=NC=NC=C34

InChI

InChI=1S/C14H12N6S/c1-9(11-3-15-7-19-13(11)17-1)5-21-6-10-2-18-14-12(10)4-16-8-20-14/h1-4,7-8H,5-6H2,(H,15,17,19)(H,16,18,20)