1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-ethyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-[(2,2-dimethylolcyclopropyl)methyl]-5-ethyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)SC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-2-14-15(23)19-17(24)20(9-12-8-18(12,10-21)11-22)16(14)25-13-6-4-3-5-7-13/h3-7,12,21-22H,2,8-11H2,1H3,(H,19,23,24)