3-(2-methylpropyl)-2-sulfanylidene-8-(trifluoromethyl)-4H-purin-6-one

Systemtic Name: 3-(2-methylpropyl)-2-sulfanylidene-8-(trifluoromethyl)-4H-purin-6-one Openeye Name: 3-isobutyl-2-thioxo-8-(trifluoromethyl)-4H-purin-6-one CAS Name: 3-(2-methylpropyl)-2-sulfanylidene-8-(trifluoromethyl)-4H-purin-6-one IUPAC Name: 3-(2-methylpropyl)-2-sulfanylidene-8-(trifluoromethyl)-4H-purin-6-one Traditional Name: 3-isobutyl-2-thioxo-8-(trifluoromethyl)-4H-purin-6-one Formula: C10H11F3N4OS MolecularWeight: 292.28075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2C(=NC(=N2)C(F)(F)F)C(=O)NC1=S

Isomeric SMILES

CC(C)CN1C2C(=NC(=N2)C(F)(F)F)C(=O)NC1=S

InChI

InChI=1S/C10H11F3N4OS/c1-4(2)3-17-6-5(7(18)16-9(17)19)14-8(15-6)10(11,12)13/h4,6H,3H2,1-2H3,(H,16,18,19)