ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5,5-diethoxy-pentyl]benzoate

Systemtic Name: ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5,5-diethoxy-pentyl]benzoate Openeye Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-diethoxy-pentyl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-diethoxypentyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-diethoxypentyl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-5,5-diethoxy-pentyl]benzoic acid ethyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(CCC1=CC=C(C=C1)C(=O)OCC)C2=C(NC(=NC2=O)N)N)OCC

Isomeric SMILES

CCOC(CC(CCC1=CC=C(C=C1)C(=O)OCC)C2=C(NC(=NC2=O)N)N)OCC

InChI

InChI=1S/C22H32N4O5/c1-4-29-17(30-5-2)13-16(18-19(23)25-22(24)26-20(18)27)12-9-14-7-10-15(11-8-14)21(28)31-6-3/h7-8,10-11,16-17H,4-6,9,12-13H2,1-3H3,(H5,23,24,25,26,27)