N-(1-cyanocyclohexyl)-2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC3(CCCCC3)C#N)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC3(CCCCC3)C#N)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S2/c1-4-15-30-24(32)20-17(2)21(19-11-7-5-8-12-19)34-23(20)28-25(30)33-18(3)22(31)29-26(16-27)13-9-6-10-14-26/h4-5,7-8,11-12,18H,1,6,9-10,13-15H2,2-3H3,(H,29,31)