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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N,N-dipropyl-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N,N-dipropylacetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N,N-dipropylacetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide Formula: C23H34ClN5OS MolecularWeight: 464.06696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N(CCN(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N(CCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C23H34ClN5OS/c1-5-12-28(13-6-2)22(30)18-31-23-25-20(24)16-21(26-23)29(15-14-27(3)4)17-19-10-8-7-9-11-19/h7-11,16H,5-6,12-15,17-18H2,1-4H3