4-[(6-phenylpyrimidin-4-yl)amino]butanoate

Systemtic Name: 4-[(6-phenylpyrimidin-4-yl)amino]butanoate Openeye Name: 4-[(6-phenylpyrimidin-4-yl)amino]butanoate CAS Name: 4-[(6-phenyl-4-pyrimidinyl)amino]butanoate IUPAC Name: 4-[(6-phenylpyrimidin-4-yl)amino]butanoate Traditional Name: 4-[(6-phenylpyrimidin-4-yl)amino]butyrate Formula: C14H14N3O2- MolecularWeight: 256.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NCCCC(=O)[O-]

InChI

InChI=1S/C14H15N3O2/c18-14(19)7-4-8-15-13-9-12(16-10-17-13)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,15,16,17)/p-1