4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide

Systemtic Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide Openeye Name: N-butyl-4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-butylbenzamide IUPAC Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: N-butyl-4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4OS/c1-4-7-12-24-21(28)18-10-8-17(9-11-18)16-29-22-25-19(23)15-20(26-22)27(13-5-2)14-6-3/h5-6,8-11,15H,2-4,7,12-14,16H2,1H3,(H,24,28)