N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS2/c1-15(19(27)26-22(13-23)10-6-3-7-11-22)28-20-17-12-18(16-8-4-2-5-9-16)29-21(17)25-14-24-20/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3,(H,26,27)