7-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H15BrN4O4S MolecularWeight: 427.273

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C15H15BrN4O4S/c1-19-12-11(13(22)18-14(19)23)20(15(25)17-12)6-9(21)7-24-10-4-2-8(16)3-5-10/h2-5,9,21H,6-7H2,1H3,(H,17,25)(H,18,22,23)/t9-/m0/s1