3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-6-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H32FN5O3S MolecularWeight: 525.638083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C)C

InChI

InChI=1S/C27H32FN5O3S/c1-17-12-18(2)14-32(13-17)22(34)15-33-16-29-25-23(26(33)35)19(3)24(37-25)27(36)31-10-8-30(9-11-31)21-6-4-20(28)5-7-21/h4-7,16-18H,8-15H2,1-3H3