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

Systemtic Name: N-butyl-3-[[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-3-[[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 3-[[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C27H34ClN5OS MolecularWeight: 512.10976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN5OS/c1-4-5-14-29-26(34)23-13-9-12-22(17-23)20-35-27-30-24(28)18-25(31-27)33(16-15-32(2)3)19-21-10-7-6-8-11-21/h6-13,17-18H,4-5,14-16,19-20H2,1-3H3,(H,29,34)