2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-methyl-1-piperidyl)methyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[(3-methyl-1-piperidinyl)methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(3-methylpiperidino)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

CC1CCCN(C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C21H22N4OS/c1-15-6-5-10-24(12-15)13-18-23-20-19(21(26)25(18)11-9-22)17(14-27-20)16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,10-13H2,1H3