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

Systemtic Name: 5-[2-azanyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-5-yl]pentanoic acid Openeye Name: 5-(2-amino-6-benzyl-4-oxo-1H-pyrimidin-5-yl)pentanoic acid CAS Name: 5-[2-amino-4-oxo-6-(phenylmethyl)-1H-pyrimidin-5-yl]pentanoic acid IUPAC Name: 5-(2-amino-6-benzyl-4-oxo-1H-pyrimidin-5-yl)pentanoic acid Traditional Name: 5-(2-amino-6-benzyl-4-keto-1H-pyrimidin-5-yl)valeric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)N)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)N)CCCCC(=O)O

InChI

InChI=1S/C16H19N3O3/c17-16-18-13(10-11-6-2-1-3-7-11)12(15(22)19-16)8-4-5-9-14(20)21/h1-3,6-7H,4-5,8-10H2,(H,20,21)(H3,17,18,19,22)