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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H21N5O3/c1-2-28-17-11-8-15(9-12-17)10-13-19(27)29-14-18-24-20(22)26-21(25-18)23-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H3,22,23,24,25,26)/b13-10+