N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(1H-benzimidazol-2-ylsulfanyl)-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(1H-benzimidazol-2-ylsulfanyl)-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)-N-ethyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(1H-benzimidazol-2-ylthio)-N-ethylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)-N-ethylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(1H-benzimidazol-2-ylthio)-N-ethyl-acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6O3S/c1-2-27(17(29)13-32-21-24-15-10-6-7-11-16(15)25-21)18-19(23)28(22(31)26-20(18)30)12-14-8-4-3-5-9-14/h3-11H,2,12-13,23H2,1H3,(H,24,25)(H,26,30,31)