2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-pentanamide

Systemtic Name: 2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-pentanamide Openeye Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-phenethyl-pentanamide CAS Name: 2-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-phenethylpentanamide IUPAC Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-phenethylpentanamide Traditional Name: 2-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-phenethyl-valeramide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C27H33N3O3S/c1-4-11-24(25(31)28-17-16-20-12-7-5-8-13-20)34-27-29-23(19-33-3)22(26(32)30(27)2)18-21-14-9-6-10-15-21/h5-10,12-15,24H,4,11,16-19H2,1-3H3,(H,28,31)