(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic 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 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H18N6O2S2 MolecularWeight: 450.53662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C21H18N6O2S2/c22-20-25-18(26-21(27-20)24-15-4-2-1-3-5-15)10-29-19(28)14-6-8-17(9-7-14)31-12-16-11-30-13-23-16/h1-9,11,13H,10,12H2,(H3,22,24,25,26,27)