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

Systemtic Name: 4-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)butanamide Openeye Name: 4-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-isobutyl-butanamide CAS Name: 4-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-(2-methylpropyl)butanamide IUPAC Name: 4-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)butanamide Traditional Name: 4-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]-N-isobutyl-butyramide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCC(C)C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCC(C)C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O2S/c1-15(2)14-22-19(25)11-8-12-27-21-23-16(3)18(20(26)24(21)4)13-17-9-6-5-7-10-17/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,25)