2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-isobutyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-5,6-dimethyl-3-(2-methylpropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-isobutyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4O3)CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4O3)CC(C)C)C

InChI

InChI=1S/C20H21N3O2S2/c1-11(2)9-23-19(24)17-12(3)13(4)27-18(17)22-20(23)26-10-16-21-14-7-5-6-8-15(14)25-16/h5-8,11H,9-10H2,1-4H3