3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-oxidanyl-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-oxidanyl-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-ethyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-hydroxy-1-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 3-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-ethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-ethyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=S)N(C1=O)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(N(C(=S)N(C1=O)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H20N4O2S/c1-2-15-19(26)24(12-14-8-4-3-5-9-14)21(28)25(20(15)27)13-18-22-16-10-6-7-11-17(16)23-18/h3-11,26H,2,12-13H2,1H3,(H,22,23)