3-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O2S/c1-16(2)25-22(28)20-12-8-11-19(13-20)15-30-24-26-17(3)21(23(29)27(24)4)14-18-9-6-5-7-10-18/h5-13,16H,14-15H2,1-4H3,(H,25,28)