5,6-dimethyl-2-[[1-oxidanylidene-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[1-oxidanylidene-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[1-methyl-2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-oxo-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]propan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-oxo-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-[4-(piperidine-1-carbonyl)piperazino]ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)C

InChI

InChI=1S/C22H31N5O3S2/c1-14-15(2)32-20-18(14)19(28)23-17(24-20)13-31-16(3)21(29)25-9-11-27(12-10-25)22(30)26-7-5-4-6-8-26/h16H,4-13H2,1-3H3,(H,23,24,28)