7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C13H11BrN4O2S MolecularWeight: 367.22104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H11BrN4O2S/c1-17-10-9(11(19)16-12(17)20)18(13(21)15-10)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20)