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

Systemtic Name: 3-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CCCCC3)Cl

Isomeric SMILES

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C24H29ClN4OS/c1-3-13-29(14-4-2)22-16-21(25)27-24(28-22)31-17-18-9-8-10-19(15-18)23(30)26-20-11-6-5-7-12-20/h3-4,8-10,15-16,20H,1-2,5-7,11-14,17H2,(H,26,30)