2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethyl butyl carbonate

Systemtic Name: 2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethyl butyl carbonate Openeye Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]ethyl butyl carbonate CAS Name: carbonic acid 2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]ethyl butyl ester IUPAC Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]ethyl butyl carbonate Traditional Name: carbonic acid 2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]ethyl butyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)OCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O4S/c1-2-3-9-27-19(26)28-10-11-29-17-22-15(20)14-16(23-17)24(18(25)21-14)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,21,25)(H2,20,22,23)