2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidine-5-carboxylic acid CAS Name: 4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidine-5-carboxylic acid Traditional Name: 4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidine-5-carboxylic acid Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C22H25N5O4/c1-27(2)13-17(28)14-31-18-10-8-16(9-11-18)25-22-23-12-19(21(29)30)20(26-22)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H,29,30)(H2,23,24,25,26)