2-[1-[1-methyl-2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]hex-5-en-2-yloxy]isoindole-1,3-dione

Systemtic Name: 2-[1-[1-methyl-2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]hex-5-en-2-yloxy]isoindole-1,3-dione Openeye Name: 2-[1-[[1-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methyl]pent-4-enoxy]isoindoline-1,3-dione CAS Name: 2-[1-[1-methyl-2-oxo-4-(1,2,4-triazol-1-yl)-5-pyrimidinyl]hex-5-en-2-yloxy]isoindole-1,3-dione IUPAC Name: 2-[1-[1-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]hex-5-en-2-yloxy]isoindole-1,3-dione Traditional Name: 2-[1-[[2-keto-1-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methyl]pent-4-enoxy]isoindoline-1,3-quinone Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=NC1=O)N2C=NC=N2)CC(CCC=C)ON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C=C(C(=NC1=O)N2C=NC=N2)CC(CCC=C)ON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N6O4/c1-3-4-7-15(31-27-19(28)16-8-5-6-9-17(16)20(27)29)10-14-11-25(2)21(30)24-18(14)26-13-22-12-23-26/h3,5-6,8-9,11-13,15H,1,4,7,10H2,2H3