2-phenyl-4-(prop-2-ynylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-phenyl-4-(prop-2-ynylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-phenyl-4-(prop-2-ynylamino)pyrimidine-5-carboxylic acid CAS Name: 2-phenyl-4-(prop-2-ynylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-phenyl-4-(prop-2-ynylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-phenyl-4-(propargylamino)pyrimidine-5-carboxylic acid Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

C#CCNC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H11N3O2/c1-2-8-15-13-11(14(18)19)9-16-12(17-13)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H,18,19)(H,15,16,17)