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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-18(27)13-9-6-12(7-10-13)8-11-14(19(28-4)29-5)15-16(22)24-20(23)25-17(15)26/h6-7,9-10,14,19H,8,11H2,1-5H3,(H5,22,23,24,25,26)