N-(2,2-dimethoxyethyl)-4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide

Systemtic Name: N-(2,2-dimethoxyethyl)-4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide Openeye Name: N-(2,2-dimethoxyethyl)-4-(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide CAS Name: N-(2,2-dimethoxyethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide IUPAC Name: N-(2,2-dimethoxyethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide Traditional Name: N-(2,2-dimethoxyethyl)-4-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butyramide Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)CCCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3)OC

Isomeric SMILES

COC(CNC(=O)CCCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3)OC

InChI

InChI=1S/C17H21N3O6S/c1-23-15(24-2)8-18-14(21)4-3-5-20-16(22)10-6-12-13(26-9-25-12)7-11(10)19-17(20)27/h6-7,15H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,27)