2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-14-4-6-16(7-5-14)17-11-27-20-19(17)21(25-13-24-20)28-12-18(26)23-10-15-3-2-8-22-9-15/h2-9,11,13H,10,12H2,1H3,(H,23,26)