2-[2-[[4-[(3,4-dichlorophenyl)carbonylamino]phenyl]methylsulfanyl]-4,6-bis(dimethylamino)pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[[4-[(3,4-dichlorophenyl)carbonylamino]phenyl]methylsulfanyl]-4,6-bis(dimethylamino)pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methylsulfanyl]-4,6-bis(dimethylamino)pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[[4-[[(3,4-dichlorophenyl)-oxomethyl]amino]phenyl]methylthio]-4,6-bis(dimethylamino)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methylsulfanyl]-4,6-bis(dimethylamino)pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[[4-[(3,4-dichlorobenzoyl)amino]benzyl]thio]-4,6-bis(dimethylamino)pyrimidin-5-yl]acetic acid Formula: C24H25Cl2N5O3S MolecularWeight: 534.458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NC(=N1)SCC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)N(C)C)CC(=O)O

Isomeric SMILES

CN(C)C1=C(C(=NC(=N1)SCC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)N(C)C)CC(=O)O

InChI

InChI=1S/C24H25Cl2N5O3S/c1-30(2)21-17(12-20(32)33)22(31(3)4)29-24(28-21)35-13-14-5-8-16(9-6-14)27-23(34)15-7-10-18(25)19(26)11-15/h5-11H,12-13H2,1-4H3,(H,27,34)(H,32,33)