3-[[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C26H32ClN5OS MolecularWeight: 498.08318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H32ClN5OS/c1-19(2)28-25(33)22-12-8-11-21(15-22)18-34-26-29-23(27)16-24(30-26)32(14-13-31(3)4)17-20-9-6-5-7-10-20/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H,28,33)