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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H21N5O4/c1-28-16-10-8-14(12-17(16)29-2)9-11-19(27)30-13-18-24-20(22)26-21(25-18)23-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H3,22,23,24,25,26)/b11-9+