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

Systemtic Name: methyl 2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate CAS Name: 2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]acetic acid methyl ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O3S/c1-23-10(21)8-24-14-18-12(16)11-13(19-14)20(15(22)17-11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,22)(H2,16,18,19)