2-azanyl-6-phenylsulfanyl-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6-phenylsulfanyl-1H-pteridin-4-one Openeye Name: 2-amino-6-phenylsulfanyl-1H-pteridin-4-one CAS Name: 2-amino-6-(phenylthio)-1H-pteridin-4-one IUPAC Name: 2-amino-6-phenylsulfanyl-1H-pteridin-4-one Traditional Name: 2-amino-6-(phenylthio)-1H-pteridin-4-one Formula: C12H9N5OS MolecularWeight: 271.29776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C12H9N5OS/c13-12-16-10-9(11(18)17-12)15-8(6-14-10)19-7-4-2-1-3-5-7/h1-6H,(H3,13,14,16,17,18)