ethyl 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxylate CAS Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxylate Traditional Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H22N4O6/c1-2-29-22(28)16-13-24-23(26-15-4-6-18-20(12-15)33-10-8-31-18)27-21(16)25-14-3-5-17-19(11-14)32-9-7-30-17/h3-6,11-13H,2,7-10H2,1H3,(H2,24,25,26,27)