2-morpholin-4-yl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-morpholin-4-yl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis(benzylsulfanyl)-2-morpholino-pyrimidine-5-carboxylic acid CAS Name: 2-(4-morpholinyl)-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(benzylsulfanyl)-2-morpholin-4-ylpyrimidine-5-carboxylic acid Traditional Name: 4,6-bis(benzylthio)-2-morpholino-pyrimidine-5-carboxylic acid Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(C(=N2)SCC3=CC=CC=C3)C(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=C(C(=N2)SCC3=CC=CC=C3)C(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-22(28)19-20(30-15-17-7-3-1-4-8-17)24-23(26-11-13-29-14-12-26)25-21(19)31-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,27,28)