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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-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-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H18ClN5O3/c21-14-6-7-16-12(9-14)8-13(10-28-16)18(27)29-11-17-24-19(22)26-20(25-17)23-15-4-2-1-3-5-15/h1-7,9,13H,8,10-11H2,(H3,22,23,24,25,26)