[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C16H13ClN6O3S MolecularWeight: 404.83082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H13ClN6O3S/c17-8-3-4-9(10(6-8)20-13(24)11-2-1-5-27-11)14(25)26-7-12-21-15(18)23-16(19)22-12/h1-6H,7H2,(H,20,24)(H4,18,19,21,22,23)