6-ethylsulfanyl-4-oxidanylidene-3-phenyl-2-(phenylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 6-ethylsulfanyl-4-oxidanylidene-3-phenyl-2-(phenylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 2-benzylsulfanyl-6-ethylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 6-(ethylthio)-4-oxo-3-phenyl-2-(phenylmethylthio)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide IUPAC Name: 2-benzylsulfanyl-6-ethylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 2-(benzylthio)-6-(ethylthio)-4-keto-3-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=C(N1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCSC1=C(C2=C(N1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H20N4O2S2/c1-2-29-20-16(18(23)27)17-19(24-20)25-22(30-13-14-9-5-3-6-10-14)26(21(17)28)15-11-7-4-8-12-15/h3-12,24H,2,13H2,1H3,(H2,23,27)