8-methyl-7-methylsulfonyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 8-methyl-7-methylsulfonyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 8-methyl-7-methylsulfonyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 8-methyl-7-methylsulfonyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 8-methyl-7-methylsulfonyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-mesyl-8-methyl-2-phenyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C3N2NC(=N3)C4=CC=CC=C4)N=C1S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N=C3N2NC(=N3)C4=CC=CC=C4)N=C1S(=O)(=O)C

InChI

InChI=1S/C14H12N6O3S/c1-19-12-9(15-14(19)24(2,22)23)11(21)17-13-16-10(18-20(12)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17,18,21)