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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-thiophen-2-ylcarbonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]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 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H17N5O3S/c23-21-25-18(26-22(27-21)24-14-7-2-1-3-8-14)13-30-20(29)16-10-5-4-9-15(16)19(28)17-11-6-12-31-17/h1-12H,13H2,(H3,23,24,25,26,27)