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

Systemtic Name: 5-(3-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-chlorophenyl)-2-[(4-methyl-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3-chlorophenyl)-2-[(4-methylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19ClN4OS MolecularWeight: 374.88766

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=CC=C4)Cl)C(=O)N2

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=CC=C4)Cl)C(=O)N2

InChI

InChI=1S/C18H19ClN4OS/c1-22-5-7-23(8-6-22)10-15-20-17(24)16-14(11-25-18(16)21-15)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,21,24)