2-[[5-(3,5-dimethoxyphenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-4-propyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-4-propyl-pyrimidine-5-carboxylic acid Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-4-propyl-pyrimidine-5-carboxylic acid CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-4-propyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-5-methyl-2-oxooxolan-3-yl]amino]-4-propylpyrimidine-5-carboxylic acid Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-4-propyl-pyrimidine-5-carboxylic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)O)NC2CC(OC2=O)(C)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)O)NC2CC(OC2=O)(C)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H25N3O6/c1-5-6-16-15(18(25)26)11-22-20(23-16)24-17-10-21(2,30-19(17)27)12-7-13(28-3)9-14(8-12)29-4/h7-9,11,17H,5-6,10H2,1-4H3,(H,25,26)(H,22,23,24)