2-[6-(methylamino)-2-(phenylmethylsulfanyl)purin-9-yl]ethyl propanoate

Systemtic Name: 2-[6-(methylamino)-2-(phenylmethylsulfanyl)purin-9-yl]ethyl propanoate Openeye Name: 2-[2-benzylsulfanyl-6-(methylamino)purin-9-yl]ethyl propanoate CAS Name: propanoic acid 2-[6-(methylamino)-2-(phenylmethylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[2-benzylsulfanyl-6-(methylamino)purin-9-yl]ethyl propanoate Traditional Name: propionic acid 2-[2-(benzylthio)-6-(methylamino)purin-9-yl]ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C=NC2=C1N=C(N=C2NC)SCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)OCCN1C=NC2=C1N=C(N=C2NC)SCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S/c1-3-14(24)25-10-9-23-12-20-15-16(19-2)21-18(22-17(15)23)26-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,19,21,22)