4-(4-azanylidene-5,8,8-trimethyl-6-oxidanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide

Systemtic Name: 4-(4-azanylidene-5,8,8-trimethyl-6-oxidanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Openeye Name: 4-(4-imino-5,8,8-trimethyl-6-oxo-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide CAS Name: 4-(4-imino-5,8,8-trimethyl-6-oxo-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide IUPAC Name: 4-(4-imino-5,8,8-trimethyl-6-oxo-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Traditional Name: 4-(4-imino-6-keto-5,8,8-trimethyl-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=N)N(C=NC2=NC3=C1C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C2C(=N)N(C=NC2=NC3=C1C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H21N5O3S/c1-11-16-14(8-20(2,3)9-15(16)26)24-19-17(11)18(21)25(10-23-19)12-4-6-13(7-5-12)29(22,27)28/h4-7,10,21H,8-9H2,1-3H3,(H2,22,27,28)