1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenyl-3-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenyl-3-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenyl-3-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenyl-2-thioxo-pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-16-19(18-10-6-3-7-11-18)23(15-26-13-12-24)21(27)22(20(16)25)14-17-8-4-2-5-9-17/h2-11,24H,12-15H2,1H3