N-(1,3-benzodioxol-5-yl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C22H22N6O4S/c29-19(23-16-6-7-17-18(12-16)32-14-31-17)13-33-22-26-20(24-15-4-2-1-3-5-15)25-21(27-22)28-8-10-30-11-9-28/h1-7,12H,8-11,13-14H2,(H,23,29)(H,24,25,26,27)