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

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butanamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-4-(4-thieno[2,3-d]pyrimidinylthio)butanamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-4-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-4-(thieno[2,3-d]pyrimidin-4-ylthio)butyramide Formula: C17H15Cl2N3OS2 MolecularWeight: 412.3565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSC2=NC=NC3=C2C=CS3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSC2=NC=NC3=C2C=CS3)Cl

InChI

InChI=1S/C17H15Cl2N3OS2/c1-10-4-5-12(18)15(14(10)19)22-13(23)3-2-7-24-16-11-6-8-25-17(11)21-9-20-16/h4-6,8-9H,2-3,7H2,1H3,(H,22,23)