2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[5-[(4-chlorophenyl)sulfonyl-methylamino]-2-(diethylamino)-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[5-[(4-chlorophenyl)sulfonyl-methylamino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C27H33ClN6O6S MolecularWeight: 605.10552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H33ClN6O6S/c1-6-34(7-2)26-29-17-23(33(5)41(38,39)21-14-10-19(28)11-15-21)24(31-26)30-22(25(35)36)16-18-8-12-20(13-9-18)40-27(37)32(3)4/h8-15,17,22H,6-7,16H2,1-5H3,(H,35,36)(H,29,30,31)