2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)OC1

InChI

InChI=1S/C21H22N6O3S/c22-20-25-18(26-21(27-20)24-14-5-2-1-3-6-14)12-31-13-19(28)23-15-7-8-16-17(11-15)30-10-4-9-29-16/h1-3,5-8,11H,4,9-10,12-13H2,(H,23,28)(H3,22,24,25,26,27)