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

Systemtic Name: 6-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c1-13-16(14-8-4-2-5-9-14)17-18(25)21-20(22-19(17)27-13)26-12-15(24)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,21,22,25)