3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-dimethylaminoethyl)-1-methyl-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-dimethylaminoethyl)-1-methyl-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-dimethylaminoethyl)-1-methyl-2,4-dioxo-quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-N-(2-dimethylaminoethyl)-1-methyl-2,4-dioxo-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-dimethylaminoethyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-dimethylaminoethyl)-2,4-diketo-1-methyl-quinazoline-6-sulfonamide Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)C(=O)N(C1=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)C(=O)N(C1=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N5O5S/c1-23(2)13-10-22-32(30,31)16-8-9-18-17(14-16)20(28)26(21(29)24(18)3)15-19(27)25-11-6-4-5-7-12-25/h8-9,14,22H,4-7,10-13,15H2,1-3H3