2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C23H30ClN5O3S MolecularWeight: 492.034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)NCCCOC)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)NCCCOC)Cl

InChI

InChI=1S/C23H30ClN5O3S/c1-16-5-7-18(8-6-16)22(31)29-11-10-28(14-17(29)2)20-13-19(24)26-23(27-20)33-15-21(30)25-9-4-12-32-3/h5-8,13,17H,4,9-12,14-15H2,1-3H3,(H,25,30)