[2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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)COC(=O)C3CCCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CCCCC3

InChI

InChI=1S/C22H27N3O5/c1-2-24-20(27)18(17(26)14-30-21(28)16-11-7-4-8-12-16)19(23)25(22(24)29)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14,23H2,1H3