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

Systemtic Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Openeye Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide CAS Name: 5-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Traditional Name: 5-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(1-phenylethyl)valeramide Formula: C26H30BrN3O2S MolecularWeight: 528.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NC(C)C2=CC=CC=C2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NC(C)C2=CC=CC=C2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H30BrN3O2S/c1-18(21-9-5-4-6-10-21)28-24(31)11-7-8-16-33-26-29-19(2)23(25(32)30(26)3)17-20-12-14-22(27)15-13-20/h4-6,9-10,12-15,18H,7-8,11,16-17H2,1-3H3,(H,28,31)