6-ethylsulfanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 6-ethylsulfanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 2-benzylsulfanyl-6-ethylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 6-(ethylthio)-4-oxo-2-(phenylmethylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide IUPAC Name: 2-benzylsulfanyl-6-ethylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 2-(benzylthio)-6-(ethylthio)-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCSC1=C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C16H16N4O2S2/c1-2-23-15-10(12(17)21)11-13(18-15)19-16(20-14(11)22)24-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,17,21)(H2,18,19,20,22)