[4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone CAS Name: [4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]phenyl]-[4-(2-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: [4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone Traditional Name: [4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]phenyl]-[4-(2-chlorophenyl)piperazino]methanone Formula: C28H29Cl2N5OS MolecularWeight: 554.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

Isomeric SMILES

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C28H29Cl2N5OS/c1-3-13-34(14-4-2)26-19-25(30)31-28(32-26)37-20-21-9-11-22(12-10-21)27(36)35-17-15-33(16-18-35)24-8-6-5-7-23(24)29/h3-12,19H,1-2,13-18,20H2