ethyl 4-[3-[2-acetamido-6-(diethanoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]benzoate

Systemtic Name: ethyl 4-[3-[2-acetamido-6-(diethanoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]benzoate Openeye Name: ethyl 4-[3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]propylamino]benzoate CAS Name: 4-[3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]propylamino]benzoate Traditional Name: 4-[3-[2-acetamido-6-(diacetylamino)-4-keto-1H-pyrimidin-5-yl]propylamino]benzoic acid ethyl ester Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCC2=C(NC(=NC2=O)NC(=O)C)N(C(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCC2=C(NC(=NC2=O)NC(=O)C)N(C(=O)C)C(=O)C

InChI

InChI=1S/C22H27N5O6/c1-5-33-21(32)16-8-10-17(11-9-16)23-12-6-7-18-19(27(14(3)29)15(4)30)25-22(24-13(2)28)26-20(18)31/h8-11,23H,5-7,12H2,1-4H3,(H2,24,25,26,28,31)