ethyl 4-oxidanylidene-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-2-(phenylmethylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S/c1-2-22-15(21)12-8-11-13(17-12)18-16(19-14(11)20)23-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,17,18,19,20)