4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxo-quinoxalin-2-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxo-2-quinoxalinyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-3-keto-4-methyl-quinoxalin-2-yl]methyl]benzamidine hydrochloride Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)CCN(C)C)N=C(C1=O)CC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)CCN(C)C)N=C(C1=O)CC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H25N5O3S.ClH/c1-25(2)10-11-30(28,29)16-8-9-19-17(13-16)24-18(21(27)26(19)3)12-14-4-6-15(7-5-14)20(22)23;/h4-9,13H,10-12H2,1-3H3,(H3,22,23);1H