5-[2-azanyl-4-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid

Systemtic Name: 5-[2-azanyl-4-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[2-amino-4-oxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid CAS Name: 5-[2-amino-4-oxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid IUPAC Name: 5-[2-amino-4-oxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[2-amino-4-keto-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-5-yl]valeric acid Formula: C18H23N3O6 MolecularWeight: 377.39172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)N=C(N2)N)CCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)N=C(N2)N)CCCCC(=O)O

InChI

InChI=1S/C18H23N3O6/c1-25-12-8-10(9-13(26-2)16(12)27-3)15-11(6-4-5-7-14(22)23)17(24)21-18(19)20-15/h8-9H,4-7H2,1-3H3,(H,22,23)(H3,19,20,21,24)