3-(6-azanyl-8-sulfanylidene-7H-purin-9-yl)propyl ethanoate

Systemtic Name: 3-(6-azanyl-8-sulfanylidene-7H-purin-9-yl)propyl ethanoate Openeye Name: 3-(6-amino-8-thioxo-7H-purin-9-yl)propyl acetate CAS Name: acetic acid 3-(6-amino-8-sulfanylidene-7H-purin-9-yl)propyl ester IUPAC Name: 3-(6-amino-8-sulfanylidene-7H-purin-9-yl)propyl acetate Traditional Name: acetic acid 3-(6-amino-8-thioxo-7H-purin-9-yl)propyl ester Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C(=NC=N2)N)NC1=S

Isomeric SMILES

CC(=O)OCCCN1C2=C(C(=NC=N2)N)NC1=S

InChI

InChI=1S/C10H13N5O2S/c1-6(16)17-4-2-3-15-9-7(14-10(15)18)8(11)12-5-13-9/h5H,2-4H2,1H3,(H,14,18)(H2,11,12,13)