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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]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 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H18N6O3S MolecularWeight: 446.48172

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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=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O3S/c23-21-26-18(27-22(28-21)25-15-7-2-1-3-8-15)13-31-20(30)14-6-4-9-16(12-14)24-19(29)17-10-5-11-32-17/h1-12H,13H2,(H,24,29)(H3,23,25,26,27,28)