methyl 4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butanoate Openeye Name: methyl 4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butanoate CAS Name: 4-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]butyric acid methyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3S/c1-25-12(23)8-5-9-26-16-20-14(18)13-15(21-16)22(17(24)19-13)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,19,24)(H2,18,20,21)