2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanal

Systemtic Name: 2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanal Openeye Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetaldehyde CAS Name: 2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]acetaldehyde IUPAC Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetaldehyde Traditional Name: 2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]acetaldehyde Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC=O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC=O)N)NC2=O

InChI

InChI=1S/C14H13N5O2S/c15-11-10-12(18-13(17-11)22-7-6-20)19(14(21)16-10)8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,21)(H2,15,17,18)