2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)pyrimidine-5-carboxylic acid Openeye Name: 2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)pyrimidine-5-carboxylic acid CAS Name: 2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)pyrimidine-5-carboxylic acid Traditional Name: 2-(dimethylamino)ethanol; 2-(2-dimethylaminoethyloxy)-4-(2-methylphenoxy)pyrimidine-5-carboxylic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)OCCN(C)C.CN(C)CCO

Isomeric SMILES

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)OCCN(C)C.CN(C)CCO

InChI

InChI=1S/C16H19N3O4.C4H11NO/c1-11-6-4-5-7-13(11)23-14-12(15(20)21)10-17-16(18-14)22-9-8-19(2)3;1-5(2)3-4-6/h4-7,10H,8-9H2,1-3H3,(H,20,21);6H,3-4H2,1-2H3