2-[[4-(diphenylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(diphenylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-morpholino-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-morpholinyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-morpholino-6-(N-phenylanilino)-s-triazin-2-yl]thio]acetic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c27-18(28)15-30-21-23-19(25-11-13-29-14-12-25)22-20(24-21)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,27,28)