N-[6-[[[4-(dimethylsulfamoyl)phenyl]-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[[[4-(dimethylsulfamoyl)phenyl]-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[[4-(dimethylsulfamoyl)-N-prop-2-ynyl-anilino]methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-[[4-(dimethylsulfamoyl)-N-prop-2-ynylanilino]methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[[4-(dimethylsulfamoyl)-N-prop-2-ynylanilino]methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[[4-(dimethylsulfamoyl)-N-propargyl-anilino]methyl]-4-keto-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C25H29N5O4S/c1-7-14-30(18-9-11-19(12-10-18)35(33,34)29(5)6)16-17-8-13-21-20(15-17)22(31)27-24(26-21)28-23(32)25(2,3)4/h1,8-13,15H,14,16H2,2-6H3,(H2,26,27,28,31,32)