2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl benzoate

Systemtic Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl benzoate Openeye Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl benzoate CAS Name: benzoic acid 2-[6-(methylamino)-2-(propylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-propylsulfanylpurin-9-yl]ethyl benzoate Traditional Name: benzoic acid 2-[6-(methylamino)-2-(propylthio)purin-9-yl]ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C3=CC=CC=C3

InChI

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