6-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-6-methyl-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-(1-piperidinylsulfonyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H31N5O4S2 MolecularWeight: 529.67474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H31N5O4S2/c1-19-23(36(33,34)30-10-6-3-7-11-30)22-24(35-19)26-18-29(25(22)32)17-21(31)28-14-12-27(13-15-28)16-20-8-4-2-5-9-20/h2,4-5,8-9,18H,3,6-7,10-17H2,1H3