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

Systemtic Name: 3-methyl-6-[(1-methylbenzimidazol-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-5-propan-2-ylsulfanyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-1-isobutyl-5-isopropylsulfanyl-3-methyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 6-[hydroxy-(1-methyl-2-benzimidazolyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(propan-2-ylthio)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-3-methyl-1-(2-methylpropyl)-5-propan-2-ylsulfanylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-[hydroxy-(1-methylbenzimidazol-2-yl)methyl]-1-isobutyl-5-(isopropylthio)-3-methyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S2/c1-12(2)11-27-22-16(21(29)26(6)23(27)30)18(31-13(3)4)19(32-22)17(28)20-24-14-9-7-8-10-15(14)25(20)5/h7-10,12-13,17,28H,11H2,1-6H3