2-[2-(azepan-1-yl)-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(azepan-1-yl)-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-(azepan-1-yl)-4-methyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(1-azepanyl)-4-methyl-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(azepan-1-yl)-4-methyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-(azepan-1-yl)-6-keto-4-methyl-pyrimidin-1-yl]acetic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)N2CCCCCC2)CC(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)N2CCCCCC2)CC(=O)O

InChI

InChI=1S/C13H19N3O3/c1-10-8-11(17)16(9-12(18)19)13(14-10)15-6-4-2-3-5-7-15/h8H,2-7,9H2,1H3,(H,18,19)