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

Systemtic Name: phenyl 3-methoxy-4-[(E)-2-[(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)amino]ethenyl]benzoate Openeye Name: phenyl 4-[(E)-2-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)amino]vinyl]-3-methoxy-benzoate CAS Name: 4-[(E)-2-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]amino]ethenyl]-3-methoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-2-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)amino]ethenyl]-3-methoxybenzoate Traditional Name: 4-[(E)-2-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]amino]vinyl]-3-methoxy-benzoic acid phenyl ester Formula: C29H23N7O3 MolecularWeight: 517.53802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)C=CNC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)/C=C/NC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5

InChI

InChI=1S/C29H23N7O3/c1-38-25-18-21(27(37)39-23-10-6-3-7-11-23)13-12-20(25)14-17-31-28-34-26(24-15-16-30-19-32-24)35-29(36-28)33-22-8-4-2-5-9-22/h2-19H,1H3,(H2,31,33,34,35,36)/b17-14+