7-(3-bromophenyl)sulfanyl-5-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1-methyl-6H-pteridine-2,4-dione

Systemtic Name: 7-(3-bromophenyl)sulfanyl-5-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1-methyl-6H-pteridine-2,4-dione Openeye Name: 7-(3-bromophenyl)sulfanyl-5-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1-methyl-6H-pteridine-2,4-dione CAS Name: 7-[(3-bromophenyl)thio]-5-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1-methyl-6H-pteridine-2,4-dione IUPAC Name: 7-(3-bromophenyl)sulfanyl-5-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1-methyl-6H-pteridine-2,4-dione Traditional Name: 7-[(3-bromophenyl)thio]-5-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1-methyl-6H-pteridine-2,4-quinone Formula: C22H20BrClN4O4S MolecularWeight: 551.8406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(CC(=N2)SC3=CC(=CC=C3)Br)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(CC(=N2)SC3=CC(=CC=C3)Br)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H20BrClN4O4S/c1-27-20-19(21(30)26-22(27)31)28(10-15(29)12-32-16-7-5-14(24)6-8-16)11-18(25-20)33-17-4-2-3-13(23)9-17/h2-9,15,29H,10-12H2,1H3,(H,26,30,31)