4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide

Systemtic Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide Openeye Name: 4-[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]butanamide CAS Name: 4-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]butanamide IUPAC Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide Traditional Name: 4-[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)butyramide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)NCCN3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)NCCN3CCCCC3)C

InChI

InChI=1S/C25H36N4O2S/c1-19-9-7-10-21(17-19)18-22-20(2)27-25(28(3)24(22)31)32-16-8-11-23(30)26-12-15-29-13-5-4-6-14-29/h7,9-10,17H,4-6,8,11-16,18H2,1-3H3,(H,26,30)