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

Systemtic Name: 5-[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-propan-2-yl-pentanamide Openeye Name: 5-[1,4-dimethyl-6-oxo-5-(p-tolylmethyl)pyrimidin-2-yl]sulfanyl-N-isopropyl-pentanamide CAS Name: 5-[[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-propan-2-ylpentanamide IUPAC Name: 5-[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-propan-2-ylpentanamide Traditional Name: N-isopropyl-5-[[6-keto-1,4-dimethyl-5-(4-methylbenzyl)pyrimidin-2-yl]thio]valeramide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N(C2=O)C)SCCCCC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N(C2=O)C)SCCCCC(=O)NC(C)C)C

InChI

InChI=1S/C22H31N3O2S/c1-15(2)23-20(26)8-6-7-13-28-22-24-17(4)19(21(27)25(22)5)14-18-11-9-16(3)10-12-18/h9-12,15H,6-8,13-14H2,1-5H3,(H,23,26)