6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-(2-methylallyloxy)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H25ClN4O4/c1-15(2)14-32-21-13-20-17(11-19(21)25)16(3)18(23(31)33-20)12-22(30)28-7-9-29(10-8-28)24-26-5-4-6-27-24/h4-6,11,13H,1,7-10,12,14H2,2-3H3