phenyl 3-methoxy-4-[(E)-3-(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzoate

Systemtic Name: phenyl 3-methoxy-4-[(E)-3-(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]benzoate Openeye Name: phenyl 4-[(E)-3-(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]-3-methoxy-benzoate CAS Name: 4-[(E)-3-[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]prop-1-enyl]-3-methoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-3-(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)prop-1-enyl]-3-methoxybenzoate Traditional Name: 4-[(E)-3-[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]prop-1-enyl]-3-methoxy-benzoic acid phenyl ester Formula: C30H24N6O3 MolecularWeight: 516.54996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)C=CCC3=NC(=NC(=N3)C4=NC=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)/C=C/CC3=NC(=NC(=N3)C4=NC=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C30H24N6O3/c1-38-26-19-22(29(37)39-24-12-6-3-7-13-24)16-15-21(26)9-8-14-27-34-28(25-17-18-31-20-32-25)36-30(35-27)33-23-10-4-2-5-11-23/h2-13,15-20H,14H2,1H3,(H,33,34,35,36)/b9-8+