2-azanyl-6-phenyl-7-phenylsulfanyl-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6-phenyl-7-phenylsulfanyl-1H-pteridin-4-one Openeye Name: 2-amino-6-phenyl-7-phenylsulfanyl-1H-pteridin-4-one CAS Name: 2-amino-6-phenyl-7-(phenylthio)-1H-pteridin-4-one IUPAC Name: 2-amino-6-phenyl-7-phenylsulfanyl-1H-pteridin-4-one Traditional Name: 2-amino-6-phenyl-7-(phenylthio)-1H-pteridin-4-one Formula: C18H13N5OS MolecularWeight: 347.39372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(NC(=NC3=O)N)N=C2SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(NC(=NC3=O)N)N=C2SC4=CC=CC=C4

InChI

InChI=1S/C18H13N5OS/c19-18-22-15-14(16(24)23-18)20-13(11-7-3-1-4-8-11)17(21-15)25-12-9-5-2-6-10-12/h1-10H,(H3,19,21,22,23,24)