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

Systemtic Name: 2-phenyl-4-(phenylmethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Openeye Name: 4-benzylsulfanyl-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde CAS Name: 2-phenyl-4-(phenylmethylthio)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde IUPAC Name: 4-benzylsulfanyl-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Traditional Name: 4-(benzylthio)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=C3C=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=C3C=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3OS/c24-12-16-11-21-18-17(16)22-19(15-9-5-2-6-10-15)23-20(18)25-13-14-7-3-1-4-8-14/h1-12,21H,13H2