3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-6-morpholin-4-ylsulfonyl-quinazoline-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-6-morpholin-4-ylsulfonyl-quinazoline-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-6-morpholinosulfonyl-quinazoline-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-morpholin-4-ylsulfonylquinazoline-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1-methyl-6-morpholinosulfonyl-quinazoline-2,4-quinone Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C21H28N4O6S/c1-22-18-7-6-16(32(29,30)24-10-12-31-13-11-24)14-17(18)20(27)25(21(22)28)15-19(26)23-8-4-2-3-5-9-23/h6-7,14H,2-5,8-13,15H2,1H3