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

Systemtic Name: 7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H14Cl2N4O4S MolecularWeight: 417.26706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N4O4S/c1-20-12-11(13(23)19-14(20)24)21(15(26)18-12)5-8(22)6-25-10-3-2-7(16)4-9(10)17/h2-4,8,22H,5-6H2,1H3,(H,18,26)(H,19,23,24)