2-[2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

InChI

InChI=1S/C22H18N6O3S/c23-17-16-18(28(22(31)24-16)12-13-6-2-1-3-7-13)26-21(25-17)32-11-10-27-19(29)14-8-4-5-9-15(14)20(27)30/h1-9H,10-12H2,(H,24,31)(H2,23,25,26)