5-methyl-3-phenethyl-6-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-3-phenethyl-6-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[oxo(1-piperidinyl)methyl]-3-phenethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)CCC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)CCC3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O2S2/c1-14-16-18(28-17(14)20(26)23-11-6-3-7-12-23)22-21(27)24(19(16)25)13-10-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,22,27)