2-methyl-4-(phenethylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methyl-4-(phenethylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-methyl-4-(phenethylamino)pyrimidine-5-carboxylic acid CAS Name: 2-methyl-4-(phenethylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methyl-4-(phenethylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-methyl-4-(phenethylamino)pyrimidine-5-carboxylic acid Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O2/c1-10-16-9-12(14(18)19)13(17-10)15-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)(H,15,16,17)