4-[2-[(6-phenylpteridin-4-yl)amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[(6-phenylpteridin-4-yl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[(6-phenylpteridin-4-yl)amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[(6-phenyl-4-pteridinyl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[(6-phenylpteridin-4-yl)amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[(6-phenylpteridin-4-yl)amino]ethyl]pyrocatechol Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC=N3)NCCC4=CC(=C(C=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC=N3)NCCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C20H17N5O2/c26-16-7-6-13(10-17(16)27)8-9-21-19-18-20(24-12-23-19)22-11-15(25-18)14-4-2-1-3-5-14/h1-7,10-12,26-27H,8-9H2,(H,21,22,23,24)