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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-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-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C17H15N5O2S/c18-16-20-14(10-24-15(23)7-6-12-8-9-25-11-12)21-17(22-16)19-13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,18,19,20,21,22)/b7-6+