4-bromanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 4-bromanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-bromo-2-[(3-chloro-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-bromo-2-[(3-chloro-4-methoxyphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-bromo-2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-bromo-2-[(3-chloro-4-methoxy-benzyl)thio]-8H-pteridin-7-one Formula: C14H10BrClN4O2S MolecularWeight: 413.6768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C(=N2)Br)N=CC(=O)N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C(=N2)Br)N=CC(=O)N3)Cl

InChI

InChI=1S/C14H10BrClN4O2S/c1-22-9-3-2-7(4-8(9)16)6-23-14-19-12(15)11-13(20-14)18-10(21)5-17-11/h2-5H,6H2,1H3,(H,18,19,20,21)