2-[4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)N)NC2=O

InChI

InChI=1S/C24H22N6O3S/c25-19-18-20(30(24(33)26-18)14-15-8-2-1-3-9-15)28-23(27-19)34-13-7-6-12-29-21(31)16-10-4-5-11-17(16)22(29)32/h1-5,8-11H,6-7,12-14H2,(H,26,33)(H2,25,27,28)