5-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methoxyphenyl)-2-(phenylmethylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNC3=C2C(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNC3=C2C(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O2S/c1-25-15-9-7-14(8-10-15)16-11-21-18-17(16)19(24)23-20(22-18)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,21,22,23,24)