6-methyl-5-(2-methylbutyl)-2-(pyridin-4-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-(pyridin-4-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-(4-pyridylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-(pyridin-4-ylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-(pyridin-4-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methylbutyl)-2-(4-pyridylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=NC=C3)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=NC=C3)C

InChI

InChI=1S/C18H21N3OS2/c1-4-11(2)9-14-12(3)24-17-15(14)16(22)20-18(21-17)23-10-13-5-7-19-8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,22)