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

Systemtic Name: 2-[2-[(cycloheptylamino)methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(cycloheptylamino)methyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[(cycloheptylamino)methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(cycloheptylamino)methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-[(cycloheptylamino)methyl]-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CCCC(CC1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C22H24N4OS/c23-12-13-26-19(14-24-17-10-6-1-2-7-11-17)25-21-20(22(26)27)18(15-28-21)16-8-4-3-5-9-16/h3-5,8-9,15,17,24H,1-2,6-7,10-11,13-14H2