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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N,N-dimethyl-benzenesulfonamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C20H21N5O3S/c1-4-11-25(15-6-8-16(9-7-15)29(27,28)24(2)3)13-14-5-10-18-17(12-14)19(26)23-20(21)22-18/h1,5-10,12H,11,13H2,2-3H3,(H3,21,22,23,26)