1-[2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetyl]piperidine-4-carbonitrile CAS Name: 1-[2-[6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[4-keto-6-methyl-5-(4-methylpiperidino)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetyl]isonipecotonitrile Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCC(CC4)C#N)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCC(CC4)C#N)C

InChI

InChI=1S/C21H27N5O4S2/c1-14-3-9-26(10-4-14)32(29,30)19-15(2)31-20-18(19)21(28)25(13-23-20)12-17(27)24-7-5-16(11-22)6-8-24/h13-14,16H,3-10,12H2,1-2H3