5-(2-methylpropyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(2-methylpropyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-isobutyl-4-thioxo-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(2-methylpropyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 5-(2-methylpropyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-isobutyl-4-thioxo-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C12H11F3N4S MolecularWeight: 300.30275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C1C(F)(F)F)C#N)NC=NC2=S

Isomeric SMILES

CC(C)CN1C2=C(C(=C1C(F)(F)F)C#N)NC=NC2=S

InChI

InChI=1S/C12H11F3N4S/c1-6(2)4-19-9-8(17-5-18-11(9)20)7(3-16)10(19)12(13,14)15/h5-6H,4H2,1-2H3,(H,17,18,20)