N-(3-methoxypropyl)-4-methyl-2-[[6-(phenylmethylsulfanyl)-2-pyridin-4-yl-pyrimidin-4-yl]amino]pentanamide

Systemtic Name: N-(3-methoxypropyl)-4-methyl-2-[[6-(phenylmethylsulfanyl)-2-pyridin-4-yl-pyrimidin-4-yl]amino]pentanamide Openeye Name: 2-[[6-benzylsulfanyl-2-(4-pyridyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-4-methyl-pentanamide CAS Name: N-(3-methoxypropyl)-4-methyl-2-[[6-(phenylmethylthio)-2-pyridin-4-yl-4-pyrimidinyl]amino]pentanamide IUPAC Name: 2-[(6-benzylsulfanyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(3-methoxypropyl)-4-methylpentanamide Traditional Name: 2-[[6-(benzylthio)-2-(4-pyridyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-4-methyl-valeramide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCOC)NC1=CC(=NC(=N1)C2=CC=NC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCCCOC)NC1=CC(=NC(=N1)C2=CC=NC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C26H33N5O2S/c1-19(2)16-22(26(32)28-12-7-15-33-3)29-23-17-24(34-18-20-8-5-4-6-9-20)31-25(30-23)21-10-13-27-14-11-21/h4-6,8-11,13-14,17,19,22H,7,12,15-16,18H2,1-3H3,(H,28,32)(H,29,30,31)