N-(3,3-diphenylpropyl)-2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-hexanamide

Systemtic Name: N-(3,3-diphenylpropyl)-2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-hexanamide Openeye Name: N-(3,3-diphenylpropyl)-2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanyl-hexanamide CAS Name: N-(3,3-diphenylpropyl)-2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]hexanamide IUPAC Name: N-(3,3-diphenylpropyl)-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylhexanamide Traditional Name: N-(3,3-diphenylpropyl)-2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]hexanamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

Isomeric SMILES

CCCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

InChI

InChI=1S/C28H35N3O2S/c1-4-6-17-25(34-28-30-23(5-2)20-26(32)31(28)3)27(33)29-19-18-24(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,24-25H,4-6,17-19H2,1-3H3,(H,29,33)