3-[2,4-bis(azanyl)-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate

Systemtic Name: 3-[2,4-bis(azanyl)-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate Openeye Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate CAS Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)-6-pteridinyl]phenol; methanesulfonate IUPAC Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol; methanesulfonate Traditional Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol mesylate Formula: C19H17N6O5S- MolecularWeight: 441.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2.CH4O3S/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9;1-5(2,3)4/h1-8,25-26H,(H4,19,20,22,23,24);1H3,(H,2,3,4)/p-1