3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanal

Systemtic Name: 3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanal Openeye Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanal CAS Name: 3-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]propanal IUPAC Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanal Traditional Name: 3-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]propionaldehyde Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2S/c16-12-11-13(19-14(18-12)23-8-4-7-21)20(15(22)17-11)9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2,(H,17,22)(H2,16,18,19)