1-(2-hydroxyethyloxymethyl)-5-methyl-3-(phenylmethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-methyl-3-(phenylmethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-methyl-3-(phenylmethyl)-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)COCCO)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)COCCO)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-16-19(25)22(14-17-8-4-2-5-9-17)21(26)23(15-27-13-12-24)20(16)28-18-10-6-3-7-11-18/h2-11,24H,12-15H2,1H3