S-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] 2-bromanylbenzenecarbothioate

Systemtic Name: S-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] 2-bromanylbenzenecarbothioate Openeye Name: S-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl) 2-bromobenzenecarbothioate CAS Name: 2-bromobenzenecarbothioic acid S-(1,3,7-trimethyl-2,6-dioxo-8-purinyl) ester IUPAC Name: S-(1,3,7-trimethyl-2,6-dioxopurin-8-yl) 2-bromobenzenecarbothioate Traditional Name: 2-bromothiobenzoic acid S-(2,6-diketo-1,3,7-trimethyl-purin-8-yl) ester Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC(=O)C3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC(=O)C3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H13BrN4O3S/c1-18-10-11(19(2)15(23)20(3)12(10)21)17-14(18)24-13(22)8-6-4-5-7-9(8)16/h4-7H,1-3H3