2-methylpropyl 2-[3-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-oxidanylidene-propoxy]benzoate

Systemtic Name: 2-methylpropyl 2-[3-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-oxidanylidene-propoxy]benzoate Openeye Name: isobutyl 2-[3-[(6-amino-7H-purin-8-yl)sulfanyl]-2-oxo-propoxy]benzoate CAS Name: 2-[3-[(6-amino-7H-purin-8-yl)thio]-2-oxopropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-[(6-amino-7H-purin-8-yl)sulfanyl]-2-oxopropoxy]benzoate Traditional Name: 2-[3-[(6-amino-7H-purin-8-yl)thio]-2-keto-propoxy]benzoic acid isobutyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C19H21N5O4S/c1-11(2)7-28-18(26)13-5-3-4-6-14(13)27-8-12(25)9-29-19-23-15-16(20)21-10-22-17(15)24-19/h3-6,10-11H,7-9H2,1-2H3,(H3,20,21,22,23,24)