4-oxidanylidene-2-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-4-oxo-2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-[[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]thio]-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 4-oxo-2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]thio]quinazoline-7-carboxylic acid Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H17N5O5S/c1-2-7-26-18(28)13-5-3-11(19(29)30)8-15(13)25-21(26)32-10-17(27)22-12-4-6-14-16(9-12)24-20(31)23-14/h2-6,8-9H,1,7,10H2,(H,22,27)(H,29,30)(H2,23,24,31)