2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(4-amino-6-oxo-hexahydropyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-amino-6-keto-hexahydropyrimidin-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3NC(CC(=O)N3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3NC(CC(=O)N3)N)OC1

InChI

InChI=1S/C15H20N4O4S/c16-12-7-13(20)19-15(18-12)24-8-14(21)17-9-2-3-10-11(6-9)23-5-1-4-22-10/h2-3,6,12,15,18H,1,4-5,7-8,16H2,(H,17,21)(H,19,20)