methyl 4-[(6-azanyl-2-butylsulfanyl-purin-9-yl)methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(6-azanyl-2-butylsulfanyl-purin-9-yl)methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[(6-amino-2-butylsulfanyl-purin-9-yl)methyl]-3-methoxy-benzoate CAS Name: 4-[[6-amino-2-(butylthio)-9-purinyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(6-amino-2-butylsulfanylpurin-9-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[[6-amino-2-(butylthio)purin-9-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C19H23N5O3S/c1-4-5-8-28-19-22-16(20)15-17(23-19)24(11-21-15)10-13-7-6-12(18(25)27-3)9-14(13)26-2/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22,23)