3-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazine-1-carbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-6-[(4-ethyl-1-piperazinyl)-oxomethyl]-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-chlorobenzyl)-6-(4-ethylpiperazine-1-carbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C21H23ClN4O2S/c1-3-24-8-10-25(11-9-24)21(28)18-14(2)17-19(29-18)23-13-26(20(17)27)12-15-6-4-5-7-16(15)22/h4-7,13H,3,8-12H2,1-2H3