(7E)-7-[5-[[3,4-bis(fluoranyl)phenyl]methyl]-3H-1,3-thiazol-2-ylidene]-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5,6-dione

Systemtic Name: (7E)-7-[5-[[3,4-bis(fluoranyl)phenyl]methyl]-3H-1,3-thiazol-2-ylidene]-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5,6-dione Openeye Name: (7E)-7-[5-[(3,4-difluorophenyl)methyl]-3H-thiazol-2-ylidene]-2-[(4-methylpiperazin-1-yl)methyl]thiazolo[3,2-a]pyrimidine-5,6-dione CAS Name: (7E)-7-[5-[(3,4-difluorophenyl)methyl]-3H-thiazol-2-ylidene]-2-[(4-methyl-1-piperazinyl)methyl]thiazolo[3,2-a]pyrimidine-5,6-dione IUPAC Name: (7E)-7-[5-[(3,4-difluorophenyl)methyl]-3H-1,3-thiazol-2-ylidene]-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5,6-dione Traditional Name: (7E)-7-[5-(3,4-difluorobenzyl)-4-thiazolin-2-ylidene]-2-[(4-methylpiperazino)methyl]thiazolo[3,2-a]pyrimidine-5,6-quinone Formula: C22H21F2N5O2S2 MolecularWeight: 489.561246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN3C(=O)C(=O)C(=C4NC=C(S4)CC5=CC(=C(C=C5)F)F)N=C3S2

Isomeric SMILES

CN1CCN(CC1)CC2=CN3C(=O)C(=O)/C(=C\4/NC=C(S4)CC5=CC(=C(C=C5)F)F)/N=C3S2

InChI

InChI=1S/C22H21F2N5O2S2/c1-27-4-6-28(7-5-27)11-15-12-29-21(31)19(30)18(26-22(29)33-15)20-25-10-14(32-20)8-13-2-3-16(23)17(24)9-13/h2-3,9-10,12,25H,4-8,11H2,1H3/b20-18+