1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-(4-methoxyphenyl)-5-[[methyl-(phenylmethyl)amino]methyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-(4-methoxyphenyl)-5-[[methyl-(phenylmethyl)amino]methyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-benzyl-5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-5-[[methyl-(phenylmethyl)amino]methyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-benzyl-5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-benzyl-5-[[benzyl(methyl)amino]methyl]-1-(2,6-difluorobenzyl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C36H31F2N3O3S MolecularWeight: 623.711446

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)CC5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)CC5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C36H31F2N3O3S/c1-39(20-24-10-5-3-6-11-24)22-29-32-34(42)40(21-25-12-7-4-8-13-25)36(43)41(23-28-30(37)14-9-15-31(28)38)35(32)45-33(29)26-16-18-27(44-2)19-17-26/h3-19H,20-23H2,1-2H3