tert-butyl 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC(C2=C(NC(=NC2=O)N)N)C(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC(C2=C(NC(=NC2=O)N)N)C(OC)OC

InChI

InChI=1S/C22H32N4O5/c1-22(2,3)31-19(28)14-11-9-13(10-12-14)7-6-8-15(20(29-4)30-5)16-17(23)25-21(24)26-18(16)27/h9-12,15,20H,6-8H2,1-5H3,(H5,23,24,25,26,27)