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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H17N5O4/c21-19-23-17(24-20(25-19)22-14-4-2-1-3-5-14)11-27-18(26)9-7-13-6-8-15-16(10-13)29-12-28-15/h1-10H,11-12H2,(H3,21,22,23,24,25)/b9-7+