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

Systemtic Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pentanamide Openeye Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide CAS Name: 5-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]pentanamide IUPAC Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide Traditional Name: 5-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]valeramide Formula: C24H31BrN4O3S MolecularWeight: 535.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NC2CCCCNC2=O)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N[C@H]2CCCCNC2=O)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H31BrN4O3S/c1-16-19(15-17-9-11-18(25)12-10-17)23(32)29(2)24(27-16)33-14-6-4-8-21(30)28-20-7-3-5-13-26-22(20)31/h9-12,20H,3-8,13-15H2,1-2H3,(H,26,31)(H,28,30)/t20-/m0/s1