4-[(E)-3-(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzene-1,3-diol

Systemtic Name: 4-[(E)-3-(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzene-1,3-diol Openeye Name: 4-[(E)-3-(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzene-1,3-diol CAS Name: 4-[(E)-3-[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]prop-1-enyl]benzene-1,3-diol IUPAC Name: 4-[(E)-3-(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzene-1,3-diol Traditional Name: 4-[(E)-3-[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]prop-1-enyl]resorcinol Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)CC=CC3=C(C=C(C=C3)O)O)C4=NC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)C/C=C/C3=C(C=C(C=C3)O)O)C4=NC=NC=C4

InChI

InChI=1S/C22H18N6O2/c29-17-10-9-15(19(30)13-17)5-4-8-20-26-21(18-11-12-23-14-24-18)28-22(27-20)25-16-6-2-1-3-7-16/h1-7,9-14,29-30H,8H2,(H,25,26,27,28)/b5-4+