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

Systemtic Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide Openeye Name: 4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide CAS Name: 4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N,N-dipropylbenzamide IUPAC Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N,N-dipropylbenzamide Traditional Name: 4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]-N,N-dipropyl-benzamide Formula: C24H31ClN4OS MolecularWeight: 459.04714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4OS/c1-5-13-28(14-6-2)22-17-21(25)26-24(27-22)31-18-19-9-11-20(12-10-19)23(30)29(15-7-3)16-8-4/h5-6,9-12,17H,1-2,7-8,13-16,18H2,3-4H3