ethyl 2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanoate Openeye Name: ethyl 2-[4-(6-oxo-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetate CAS Name: 2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetate Traditional Name: 2-[4-(6-keto-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)OCC

InChI

InChI=1S/C21H26N4O4S/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)30)22-18(23-19)14-7-9-15(10-8-14)29-13-16(26)28-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)