3-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C26H27ClN4OS MolecularWeight: 479.03678

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H27ClN4OS/c1-3-15-31(16-4-2)24-18-23(27)29-26(30-24)33-19-21-11-8-12-22(17-21)25(32)28-14-13-20-9-6-5-7-10-20/h3-12,17-18H,1-2,13-16,19H2,(H,28,32)