2-[4-[[5-aminocarbonyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[5-aminocarbonyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5-carbamoyl-4-(3-methylanilino)-2-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-carbamoyl-4-(m-toluidino)pyrimidin-2-yl]amino]phenyl]acetic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25)