2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-phenylpiperazin-1-yl)carbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-phenylpiperazin-1-yl)carbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C27H28N4O2S2 MolecularWeight: 504.66682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C)C(=O)N2

InChI

InChI=1S/C27H28N4O2S2/c1-17-9-10-18(2)21(15-17)34-16-22-28-25(32)23-19(3)24(35-26(23)29-22)27(33)31-13-11-30(12-14-31)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3,(H,28,29,32)