N-(3-chloranyl-2,6-diethyl-phenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butanamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-4-(4-thieno[2,3-d]pyrimidinylthio)butanamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-4-(thieno[2,3-d]pyrimidin-4-ylthio)butyramide Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCCSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCCSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C20H22ClN3OS2/c1-3-13-7-8-16(21)14(4-2)18(13)24-17(25)6-5-10-26-19-15-9-11-27-20(15)23-12-22-19/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)