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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-quinazoline-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-quinazoline-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-6-[(4-methyl-1-piperazinyl)sulfonyl]quinazoline-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1-methyl-6-(4-methylpiperazino)sulfonyl-quinazoline-2,4-quinone Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H31N5O5S/c1-23-11-13-26(14-12-23)33(31,32)17-7-8-19-18(15-17)21(29)27(22(30)24(19)2)16-20(28)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14,16H2,1-2H3