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

Systemtic Name: methyl 3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanoate CAS Name: 3-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]propionic acid methyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-24-11(22)7-8-25-15-19-13(17)12-14(20-15)21(16(23)18-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,18,23)(H2,17,19,20)