6-ethyl-3-(3-methoxypropyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-(3-methoxypropyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(3-methoxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-(3-methoxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(3-methoxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H26N4O3S2/c1-3-15-14-16-19(31-15)24-22(26(20(16)27)10-6-12-29-2)30-13-7-11-25-18-9-5-4-8-17(18)23-21(25)28/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,23,28)