1-[(4-chloranyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]azepan-2-one

Systemtic Name: 1-[(4-chloranyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]azepan-2-one Openeye Name: 1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]azepan-2-one CAS Name: 1-[(4-chloro-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl]-2-azepanone IUPAC Name: 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]azepan-2-one Traditional Name: 1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]azepan-2-one Formula: C15H18ClN3OS MolecularWeight: 323.84092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)CN3CCCCCC3=O)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)CN3CCCCCC3=O)Cl)C

InChI

InChI=1S/C15H18ClN3OS/c1-9-10(2)21-15-13(9)14(16)17-11(18-15)8-19-7-5-3-4-6-12(19)20/h3-8H2,1-2H3