3-(2-chlorophenyl)-6-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-chlorophenyl)-6-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-chlorophenyl)-6-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-chlorophenyl)-6-ethyl-2-[(4-ethyl-1-piperazinyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-chlorophenyl)-6-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-chlorophenyl)-6-ethyl-2-[(4-ethylpiperazino)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3Cl)CN4CCN(CC4)CC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3Cl)CN4CCN(CC4)CC

InChI

InChI=1S/C21H25ClN4OS/c1-3-15-13-16-20(28-15)23-19(14-25-11-9-24(4-2)10-12-25)26(21(16)27)18-8-6-5-7-17(18)22/h5-8,13H,3-4,9-12,14H2,1-2H3