N-(3-chloranyl-4-methyl-phenyl)-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[6-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C27H25ClFN5O3S MolecularWeight: 554.035503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C)Cl

InChI

InChI=1S/C27H25ClFN5O3S/c1-16-7-8-18(13-19(16)28)31-22(35)14-34-15-30-25-23(26(34)36)17(2)24(38-25)27(37)33-11-9-32(10-12-33)21-6-4-3-5-20(21)29/h3-8,13,15H,9-12,14H2,1-2H3,(H,31,35)