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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(3,3-diphenylpropyl)pentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)pentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(3,3-diphenylpropyl)valeramide Formula: C33H36BrN3O2S MolecularWeight: 618.62684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=C(C(=O)N3C)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=C(C(=O)N3C)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C33H36BrN3O2S/c1-4-11-30(31(38)35-21-20-28(25-12-7-5-8-13-25)26-14-9-6-10-15-26)40-33-36-23(2)29(32(39)37(33)3)22-24-16-18-27(34)19-17-24/h5-10,12-19,28,30H,4,11,20-22H2,1-3H3,(H,35,38)