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

Systemtic Name: ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4,4-diethoxy-butyl]benzoate Openeye Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-diethoxy-butyl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-diethoxybutyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-diethoxybutyl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-4,4-diethoxy-butyl]benzoic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-4-28-19(27)14-10-7-13(8-11-14)9-12-15(20(29-5-2)30-6-3)16-17(22)24-21(23)25-18(16)26/h7-8,10-11,15,20H,4-6,9,12H2,1-3H3,(H5,22,23,24,25,26)