3-(2-methylsulfonylethanoylamino)-N-[4-(1-phenylethylamino)quinazolin-6-yl]propanamide

Systemtic Name: 3-(2-methylsulfonylethanoylamino)-N-[4-(1-phenylethylamino)quinazolin-6-yl]propanamide Openeye Name: 3-[(2-methylsulfonylacetyl)amino]-N-[4-(1-phenylethylamino)quinazolin-6-yl]propanamide CAS Name: 3-[(2-methylsulfonyl-1-oxoethyl)amino]-N-[4-(1-phenylethylamino)-6-quinazolinyl]propanamide IUPAC Name: 3-[(2-methylsulfonylacetyl)amino]-N-[4-(1-phenylethylamino)quinazolin-6-yl]propanamide Traditional Name: 3-[(2-mesylacetyl)amino]-N-[4-(1-phenylethylamino)quinazolin-6-yl]propionamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCNC(=O)CS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCNC(=O)CS(=O)(=O)C

InChI

InChI=1S/C22H25N5O4S/c1-15(16-6-4-3-5-7-16)26-22-18-12-17(8-9-19(18)24-14-25-22)27-20(28)10-11-23-21(29)13-32(2,30)31/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,29)(H,27,28)(H,24,25,26)