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

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-(azepan-1-ylmethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-(1-azepanylmethyl)-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-(azepan-1-ylmethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-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:

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C21H22N4OS/c22-10-13-25-18(14-24-11-6-1-2-7-12-24)23-20-19(21(25)26)17(15-27-20)16-8-4-3-5-9-16/h3-5,8-9,15H,1-2,6-7,11-14H2