O4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(4-amino-6-anilino-s-triazin-2-yl)methyl] ester O1-ethyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N

InChI

InChI=1S/C16H17N5O4/c1-2-24-13(22)8-9-14(23)25-10-12-19-15(17)21-16(20-12)18-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H3,17,18,19,20,21)/b9-8+