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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C27H34ClN5OS MolecularWeight: 512.10976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H34ClN5OS/c1-21(14-15-22-10-6-4-7-11-22)29-26(34)20-35-27-30-24(28)18-25(31-27)33(17-16-32(2)3)19-23-12-8-5-9-13-23/h4-13,18,21H,14-17,19-20H2,1-3H3,(H,29,34)