3-[4-azanyl-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate

Systemtic Name: 3-[4-azanyl-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate Openeye Name: 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate CAS Name: 3-[4-amino-7-(3-hydroxyphenyl)-6-pteridinyl]phenol; methanesulfonate IUPAC Name: 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate Traditional Name: 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol mesylate Formula: C19H16N5O5S- MolecularWeight: 426.42584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC(=C1)O)C2=NC3=C(N=CN=C3N)N=C2C4=CC(=CC=C4)O

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC(=C1)O)C2=NC3=C(N=CN=C3N)N=C2C4=CC(=CC=C4)O

InChI

InChI=1S/C18H13N5O2.CH4O3S/c19-17-16-18(21-9-20-17)23-15(11-4-2-6-13(25)8-11)14(22-16)10-3-1-5-12(24)7-10;1-5(2,3)4/h1-9,24-25H,(H2,19,20,21,23);1H3,(H,2,3,4)/p-1