ethyl 2-(6-azanyl-2-sulfanylidene-7H-purin-1-yl)ethanoate

Systemtic Name: ethyl 2-(6-azanyl-2-sulfanylidene-7H-purin-1-yl)ethanoate Openeye Name: ethyl 2-(6-amino-2-thioxo-7H-purin-1-yl)acetate CAS Name: 2-(6-amino-2-sulfanylidene-7H-purin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-amino-2-sulfanylidene-7H-purin-1-yl)acetate Traditional Name: 2-(6-amino-2-thioxo-7H-purin-1-yl)acetic acid ethyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C2C(=NC1=S)N=CN2)N

Isomeric SMILES

CCOC(=O)CN1C(=C2C(=NC1=S)N=CN2)N

InChI

InChI=1S/C9H11N5O2S/c1-2-16-5(15)3-14-7(10)6-8(12-4-11-6)13-9(14)17/h4H,2-3,10H2,1H3,(H,11,12,13,17)