6-azanyl-5-[2-(azepan-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(azepan-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(azepan-1-yl)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1-azepanyl)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(azepan-1-yl)acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(azepan-1-yl)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-2-24-20(27)18(17(26)15-23-12-8-3-4-9-13-23)19(22)25(21(24)28)14-16-10-6-5-7-11-16/h5-7,10-11H,2-4,8-9,12-15,22H2,1H3