N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)N4CCCCC4

InChI

InChI=1S/C25H30N4O3S2/c1-3-12-29-24(31)20-11-15-33-23(20)27-25(29)34-17-22(30)26-16-21(28-13-5-4-6-14-28)18-7-9-19(32-2)10-8-18/h3,7-11,15,21H,1,4-6,12-14,16-17H2,2H3,(H,26,30)