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

Systemtic Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(3-methylpiperidin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-[(3-methyl-1-piperidinyl)-oxomethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-fluorobenzyl)-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H22FN3O2S/c1-13-5-4-8-24(10-13)21(27)18-14(2)17-19(28-18)23-12-25(20(17)26)11-15-6-3-7-16(22)9-15/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3