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

Systemtic Name: S-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] 3-bromanylbenzenecarbothioate Openeye Name: S-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl) 3-bromobenzenecarbothioate CAS Name: 3-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) 3-bromobenzenecarbothioate Traditional Name: 3-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=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC(=O)C3=CC(=CC=C3)Br)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)8-5-4-6-9(16)7-8/h4-7H,1-3H3