4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid

Systemtic Name: 4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid Openeye Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid CAS Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid IUPAC Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid Traditional Name: 4-[3-keto-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoic acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC(=O)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CNC(=NC1)NC(=O)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17N3O3/c18-12(17-14-15-8-1-9-16-14)7-4-10-2-5-11(6-3-10)13(19)20/h2-3,5-6H,1,4,7-9H2,(H,19,20)(H2,15,16,17,18)