3-[[5-(1,3-benzodioxol-5-yl)-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN=C(N=C3NC4=CC(=CC=C4)O)NC5=CC(=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=C(N=C3NC4=CC(=CC=C4)O)NC5=CC(=CC=C5)O

InChI

InChI=1S/C23H18N4O4/c28-17-5-1-3-15(10-17)25-22-19(14-7-8-20-21(9-14)31-13-30-20)12-24-23(27-22)26-16-4-2-6-18(29)11-16/h1-12,28-29H,13H2,(H2,24,25,26,27)