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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)thio]-8H-pteridin-7-one Formula: C14H11ClN4O2S MolecularWeight: 334.78074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=C3C(=N2)NC(=O)C=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=C3C(=N2)NC(=O)C=N3)Cl

InChI

InChI=1S/C14H11ClN4O2S/c1-21-11-3-2-8(4-9(11)15)7-22-14-17-5-10-13(19-14)18-12(20)6-16-10/h2-6H,7H2,1H3,(H,17,18,19,20)