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

Systemtic Name: 2-[3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

InChI

InChI=1S/C23H20N6O3S/c24-18-17-19(29(23(32)25-17)13-14-7-2-1-3-8-14)27-22(26-18)33-12-6-11-28-20(30)15-9-4-5-10-16(15)21(28)31/h1-5,7-10H,6,11-13H2,(H,25,32)(H2,24,26,27)