2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-dipropylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropylacetamide Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide Formula: C25H34ClN5O3S MolecularWeight: 520.08716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H34ClN5O3S/c1-5-10-29(11-6-2)23(32)17-35-25-27-21(26)15-22(28-25)30-12-13-31(18(3)16-30)24(33)19-8-7-9-20(14-19)34-4/h7-9,14-15,18H,5-6,10-13,16-17H2,1-4H3