5-(3-chlorophenyl)-2-[(4-ethanoylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3-chlorophenyl)-2-[(4-ethanoylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(3-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-5-(3-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(3-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazino)methyl]-5-(3-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=CC=C4)Cl)C(=O)N2

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=CC=C4)Cl)C(=O)N2

InChI

InChI=1S/C19H19ClN4O2S/c1-12(25)24-7-5-23(6-8-24)10-16-21-18(26)17-15(11-27-19(17)22-16)13-3-2-4-14(20)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,21,22,26)