(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H21N5O4/c1-28-16-10-6-7-14(19(16)29-2)11-12-18(27)30-13-17-24-20(22)26-21(25-17)23-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H3,22,23,24,25,26)/b12-11+