1-(2-hydroxyethyloxymethyl)-6-phenylsulfanyl-5-prop-1-ynyl-pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-6-phenylsulfanyl-5-prop-1-ynyl-pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-prop-1-ynyl-pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-6-(phenylthio)-5-prop-1-ynylpyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-prop-1-ynylpyrimidine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-6-(phenylthio)-5-prop-1-ynyl-pyrimidine-2,4-quinone Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

CC#CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-2-6-13-14(20)17-16(21)18(11-22-10-9-19)15(13)23-12-7-4-3-5-8-12/h3-5,7-8,19H,9-11H2,1H3,(H,17,20,21)