2-[(4-bromanylthiophen-2-yl)methylamino]-1H-pteridin-4-one

Systemtic Name: 2-[(4-bromanylthiophen-2-yl)methylamino]-1H-pteridin-4-one Openeye Name: 2-[(4-bromo-2-thienyl)methylamino]-1H-pteridin-4-one CAS Name: 2-[(4-bromo-2-thiophenyl)methylamino]-1H-pteridin-4-one IUPAC Name: 2-[(4-bromothiophen-2-yl)methylamino]-1H-pteridin-4-one Traditional Name: 2-[(4-bromo-2-thienyl)methylamino]-1H-pteridin-4-one Formula: C11H8BrN5OS MolecularWeight: 338.18312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=O)N=C(N2)NCC3=CC(=CS3)Br

Isomeric SMILES

C1=CN=C2C(=N1)C(=O)N=C(N2)NCC3=CC(=CS3)Br

InChI

InChI=1S/C11H8BrN5OS/c12-6-3-7(19-5-6)4-15-11-16-9-8(10(18)17-11)13-1-2-14-9/h1-3,5H,4H2,(H2,14,15,16,17,18)