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

Systemtic Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H29ClN4OS MolecularWeight: 445.02056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN4OS/c1-4-7-8-13-25-22(29)19-11-9-18(10-12-19)17-30-23-26-20(24)16-21(27-23)28(14-5-2)15-6-3/h5-6,9-12,16H,2-4,7-8,13-15,17H2,1H3,(H,25,29)