2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)hexanamide

Systemtic Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)hexanamide Openeye Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)hexanamide CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]hexanamide IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)hexanamide Traditional Name: 2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)hexanamide Formula: C25H35FN4O2S MolecularWeight: 474.634403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCN1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCC(C(=O)NCCN1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H35FN4O2S/c1-4-5-8-22(23(31)27-13-16-30-14-6-7-15-30)33-25-28-18(2)21(24(32)29(25)3)17-19-9-11-20(26)12-10-19/h9-12,22H,4-8,13-17H2,1-3H3,(H,27,31)