3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethyl-1-pyrazolyl)-6-ethyl-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-pyrimidin-4-one Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N5O2/c1-4-16-12-17(25)23(13-18(26)22-9-7-5-6-8-10-22)19(20-16)24-15(3)11-14(2)21-24/h11-12H,4-10,13H2,1-3H3