6-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylthio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methylthio]-4-keto-quinazolin-3-yl]hexanamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

InChI

InChI=1S/C21H25N5O4S/c1-24-14(12-18(28)25(2)21(24)30)13-31-20-23-16-9-6-5-8-15(16)19(29)26(20)11-7-3-4-10-17(22)27/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H2,22,27)