2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C25H30ClN5OS MolecularWeight: 484.0566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C25H30ClN5OS/c1-30(2)15-16-31(18-21-11-7-4-8-12-21)23-17-22(26)28-25(29-23)33-19-24(32)27-14-13-20-9-5-3-6-10-20/h3-12,17H,13-16,18-19H2,1-2H3,(H,27,32)