(3R)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(dimethylamino)-3-sulfanyl-butanamide

Systemtic Name: (3R)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(dimethylamino)-3-sulfanyl-butanamide Openeye Name: (3R)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)-3-sulfanyl-butanamide CAS Name: (3R)-N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(dimethylamino)-3-mercaptobutanamide IUPAC Name: (3R)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)-3-sulfanylbutanamide Traditional Name: (3R)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)-3-mercapto-butyramide Formula: C20H22BrN5OS MolecularWeight: 460.39058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)S

Isomeric SMILES

CN(C)C[C@@H](CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)S

InChI

InChI=1S/C20H22BrN5OS/c1-26(2)11-16(28)10-19(27)24-15-6-7-18-17(9-15)20(23-12-22-18)25-14-5-3-4-13(21)8-14/h3-9,12,16,28H,10-11H2,1-2H3,(H,24,27)(H,22,23,25)/t16-/m1/s1