3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-[[1-(2-furylmethyl)benzimidazol-2-yl]methyl]-1-piperidyl]ethyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-[[1-(2-furanylmethyl)-2-benzimidazolyl]methyl]-1-piperidinyl]ethyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-[[1-(2-furfuryl)benzimidazol-2-yl]methyl]piperidino]ethyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C27H29N5O2S2 MolecularWeight: 519.68146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)CCN3CCC(CC3)CC4=NC5=CC=CC=C5N4CC6=CC=CO6

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)CCN3CCC(CC3)CC4=NC5=CC=CC=C5N4CC6=CC=CO6

InChI

InChI=1S/C27H29N5O2S2/c1-18-15-21-25(36-18)29-27(35)31(26(21)33)13-12-30-10-8-19(9-11-30)16-24-28-22-6-2-3-7-23(22)32(24)17-20-5-4-14-34-20/h2-7,14-15,19H,8-13,16-17H2,1H3,(H,29,35)