2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propan-2-yl-pentanamide

Systemtic Name: 2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propan-2-yl-pentanamide Openeye Name: 2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-isopropyl-pentanamide CAS Name: 2-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-propan-2-ylpentanamide IUPAC Name: 2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propan-2-ylpentanamide Traditional Name: 2-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]-N-isopropyl-valeramide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCC(C(=O)NC(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H29N3O2S/c1-6-10-18(19(25)22-14(2)3)27-21-23-15(4)17(20(26)24(21)5)13-16-11-8-7-9-12-16/h7-9,11-12,14,18H,6,10,13H2,1-5H3,(H,22,25)