2-[(2-azanyl-6-sulfanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl benzoate

Systemtic Name: 2-[(2-azanyl-6-sulfanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl benzoate Openeye Name: 2-[(2-amino-6-thioxo-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[(2-amino-6-sulfanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-sulfanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[(2-amino-6-thioxo-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCOC(=O)C3=CC=CC=C3)NC(=NC2=S)N

Isomeric SMILES

C1NC2=C(N1COCCOC(=O)C3=CC=CC=C3)NC(=NC2=S)N

InChI

InChI=1S/C15H17N5O3S/c16-15-18-12-11(13(24)19-15)17-8-20(12)9-22-6-7-23-14(21)10-4-2-1-3-5-10/h1-5,17H,6-9H2,(H3,16,18,19,24)