(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic 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 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl)OC1

InChI

InChI=1S/C20H18ClN5O4/c21-14-9-12(10-15-17(14)29-8-4-7-28-15)18(27)30-11-16-24-19(22)26-20(25-16)23-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2,(H3,22,23,24,25,26)