2-[[2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-3-fluoranyl-phenyl]carbonylamino]-5-sulfamoyl-pentanoic acid

Systemtic Name: 2-[[2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-3-fluoranyl-phenyl]carbonylamino]-5-sulfamoyl-pentanoic acid Openeye Name: 2-[[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-3-fluoro-benzoyl]amino]-5-sulfamoyl-pentanoic acid CAS Name: 2-[[[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-3-fluorophenyl]-oxomethyl]amino]-5-sulfamoylpentanoic acid IUPAC Name: 2-[[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-3-fluorobenzoyl]amino]-5-sulfamoylpentanoic acid Traditional Name: 2-[[3-fluoro-2-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-5-sulfamoyl-valeric acid Formula: C26H28FN5O6S MolecularWeight: 557.593823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=C(C=CC=C3F)C(=O)NC(CCCS(=O)(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=C(C=CC=C3F)C(=O)NC(CCCS(=O)(=O)N)C(=O)O

InChI

InChI=1S/C26H28FN5O6S/c1-4-10-32(14-17-13-19-22(12-15(17)2)29-16(3)30-25(19)34)23-18(7-5-8-20(23)27)24(33)31-21(26(35)36)9-6-11-39(28,37)38/h1,5,7-8,12-13,21H,6,9-11,14H2,2-3H3,(H,31,33)(H,35,36)(H2,28,37,38)(H,29,30,34)