3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-pyridin-3-ylcarbonyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-pyridin-3-ylcarbonyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-6-(pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-(3-hydroxypropylthio)-3-methyl-1-(2-methylpropyl)-6-[oxo(3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-(3-hydroxypropylthio)-1-isobutyl-3-methyl-6-nicotinoyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)C(=O)C3=CN=CC=C3)SCCCO)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)C(=O)C3=CN=CC=C3)SCCCO)C(=O)N(C1=O)C

InChI

InChI=1S/C20H23N3O4S2/c1-12(2)11-23-19-14(18(26)22(3)20(23)27)16(28-9-5-8-24)17(29-19)15(25)13-6-4-7-21-10-13/h4,6-7,10,12,24H,5,8-9,11H2,1-3H3