5-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid

Systemtic Name: 5-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid Openeye Name: 5-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid CAS Name: 5-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid IUPAC Name: 5-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid Traditional Name: 5-[2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]valeric acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CCCCC(=O)O

InChI

InChI=1S/C19H25N3O3/c20-19-21-16(12-6-7-13-17(23)24)15(18(25)22-19)11-5-4-10-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2,(H,23,24)(H3,20,21,22,25)