6-methyl-5-(2-methylbutyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCCC(C3)C)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCCC(C3)C)C

InChI

InChI=1S/C20H29N3O2S2/c1-5-12(2)9-15-14(4)27-19-17(15)18(25)21-20(22-19)26-11-16(24)23-8-6-7-13(3)10-23/h12-13H,5-11H2,1-4H3,(H,21,22,25)