1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]ethanone hydrobromide

Systemtic Name: 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]ethanone hydrobromide Openeye Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]ethanone hydrobromide CAS Name: 1-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]ethanone hydrobromide IUPAC Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]ethanone hydrobromide Traditional Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]ethanone hydrobromide Formula: C15H16BrN7O MolecularWeight: 390.23784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.Br

InChI

InChI=1S/C15H15N7O.BrH/c1-8(23)9-2-4-10(5-3-9)18-6-11-7-19-14-12(20-11)13(16)21-15(17)22-14;/h2-5,7,18H,6H2,1H3,(H4,16,17,19,21,22);1H