(2S)-N-(3-ethoxypropyl)-2-[(2-imidazol-1-yl-6-octylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(3-ethoxypropyl)-2-[(2-imidazol-1-yl-6-octylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanamide Openeye Name: (2S)-N-(3-ethoxypropyl)-2-[(2-imidazol-1-yl-6-octylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanamide CAS Name: (2S)-N-(3-ethoxypropyl)-2-[[2-(1-imidazolyl)-6-(octylthio)-4-pyrimidinyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-(3-ethoxypropyl)-2-[(2-imidazol-1-yl-6-octylsulfanylpyrimidin-4-yl)amino]-4-methylpentanamide Traditional Name: (2S)-N-(3-ethoxypropyl)-2-[[2-imidazol-1-yl-6-(octylthio)pyrimidin-4-yl]amino]-4-methyl-valeramide Formula: C26H44N6O2S MolecularWeight: 504.73156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1)NC(CC(C)C)C(=O)NCCCOCC)N2C=CN=C2

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1)N[C@@H](CC(C)C)C(=O)NCCCOCC)N2C=CN=C2

InChI

InChI=1S/C26H44N6O2S/c1-5-7-8-9-10-11-17-35-24-19-23(30-26(31-24)32-15-14-27-20-32)29-22(18-21(3)4)25(33)28-13-12-16-34-6-2/h14-15,19-22H,5-13,16-18H2,1-4H3,(H,28,33)(H,29,30,31)/t22-/m0/s1