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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-propyl-pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-propyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethyl-1-pyrazolyl)-6-propyl-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-propylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-propyl-pyrimidin-4-one Formula: C20H29N5O2 MolecularWeight: 371.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N5O2/c1-4-9-17-13-18(26)24(14-19(27)23-10-7-5-6-8-11-23)20(21-17)25-16(3)12-15(2)22-25/h12-13H,4-11,14H2,1-3H3