2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(2-chlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H17ClN2OS/c1-9-6-7-11-13(8-9)22-17-14(11)16(21)19-15(20-17)10-4-2-3-5-12(10)18/h2-5,9,15,20H,6-8H2,1H3,(H,19,21)