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

Systemtic Name: 5-nitro-4-(phenylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 5-nitro-4-(phenylmethylthio)-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-5-nitro-7H-pyrrolo[2,3-d]pyrimidine Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c18-17(19)10-6-14-12-11(10)13(16-8-15-12)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,16)