1-[2,4-bis(azanyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(4-chlorophenyl)-2-sulfanyl-ethanone

Systemtic Name: 1-[2,4-bis(azanyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(4-chlorophenyl)-2-sulfanyl-ethanone Openeye Name: 2-(4-chlorophenyl)-1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-sulfanyl-ethanone CAS Name: 2-(4-chlorophenyl)-1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-mercaptoethanone IUPAC Name: 2-(4-chlorophenyl)-1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-sulfanylethanone Traditional Name: 2-(4-chlorophenyl)-1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-mercapto-ethanone Formula: C14H14ClN5OS MolecularWeight: 335.81186

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C(C3=CC=C(C=C3)Cl)S)N=C(N=C2N)N

Isomeric SMILES

C1C2=C(CN1C(=O)C(C3=CC=C(C=C3)Cl)S)N=C(N=C2N)N

InChI

InChI=1S/C14H14ClN5OS/c15-8-3-1-7(2-4-8)11(22)13(21)20-5-9-10(6-20)18-14(17)19-12(9)16/h1-4,11,22H,5-6H2,(H4,16,17,18,19)