2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)hexanamide

Systemtic Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)hexanamide Openeye Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)hexanamide CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(2-oxo-3-azepanyl)hexanamide IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)hexanamide Traditional Name: 2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(2-ketoazepan-3-yl)hexanamide Formula: C25H33FN4O3S MolecularWeight: 488.617923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCCNC1=O)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCC(C(=O)NC1CCCCNC1=O)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H33FN4O3S/c1-4-5-9-21(23(32)29-20-8-6-7-14-27-22(20)31)34-25-28-16(2)19(24(33)30(25)3)15-17-10-12-18(26)13-11-17/h10-13,20-21H,4-9,14-15H2,1-3H3,(H,27,31)(H,29,32)