2-(phenylmethylsulfanyl)-6-propan-2-yl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-dione

Systemtic Name: 2-(phenylmethylsulfanyl)-6-propan-2-yl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-dione Openeye Name: 2-benzylsulfanyl-6-isopropyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-dione CAS Name: 2-(phenylmethylthio)-6-propan-2-yl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-dione IUPAC Name: 2-benzylsulfanyl-6-propan-2-yl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-dione Traditional Name: 2-(benzylthio)-6-isopropyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-4,7-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C1=O)NC(=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1CC2=C(C1=O)NC(=NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-10(2)19-8-12-13(15(19)21)17-16(18-14(12)20)22-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18,20)