(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-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 (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-14(28)23-17(12-15-8-4-2-5-9-15)19(29)30-13-18-25-20(22)27-21(26-18)24-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,23,28)(H3,22,24,25,26,27)/b17-12-