4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide

Systemtic Name: 4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]butanamide CAS Name: 4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]butanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)butyramide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCN2CCCCC2)COC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCN2CCCCC2)COC)CC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O3S/c1-28-24(31)21(18-20-10-5-3-6-11-20)22(19-32-2)27-25(28)33-17-9-12-23(30)26-13-16-29-14-7-4-8-15-29/h3,5-6,10-11H,4,7-9,12-19H2,1-2H3,(H,26,30)