5-bromanyl-3-methyl-6-[(1-methylbenzimidazol-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-bromanyl-3-methyl-6-[(1-methylbenzimidazol-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-bromo-6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-bromo-6-[hydroxy-(1-methyl-2-benzimidazolyl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-bromo-6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-bromo-6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C20H21BrN4O3S MolecularWeight: 477.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)C(C3=NC4=CC=CC=C4N3C)O)Br)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)C(C3=NC4=CC=CC=C4N3C)O)Br)C(=O)N(C1=O)C

InChI

InChI=1S/C20H21BrN4O3S/c1-10(2)9-25-19-13(18(27)24(4)20(25)28)14(21)16(29-19)15(26)17-22-11-7-5-6-8-12(11)23(17)3/h5-8,10,15,26H,9H2,1-4H3