5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

Isomeric SMILES

C1CCCC(CCC1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

InChI

InChI=1S/C21H24ClN3OS/c22-17-11-7-6-10-15(17)16-13-27-21-19(16)20(26)24-18(25-21)12-23-14-8-4-2-1-3-5-9-14/h6-7,10-11,13-14,23H,1-5,8-9,12H2,(H,24,25,26)