9-methyl-6-(phenylmethyl)-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 9-methyl-6-(phenylmethyl)-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 6-benzyl-9-methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 9-methyl-6-(phenylmethyl)-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-benzyl-9-methyl-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-benzyl-9-methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C3=NNC(=S)N3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C3=NNC(=S)N3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C14H12N6OS/c1-18-8-15-11-10(18)12-16-17-13(22)20(12)14(21)19(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,22)