methyl 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-(6-amino-9-benzyl-purin-2-yl)sulfanylpropanoate CAS Name: 3-[[6-amino-9-(phenylmethyl)-2-purinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(6-amino-9-benzylpurin-2-yl)sulfanylpropanoate Traditional Name: 3-[(6-amino-9-benzyl-purin-2-yl)thio]propionic acid methyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2S/c1-23-12(22)7-8-24-16-19-14(17)13-15(20-16)21(10-18-13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,19,20)