4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 4,7-dimethyl-5-(2-methylallyloxy)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4,7-dimethyl-5-(2-methylallyloxy)coumarin Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C)C(=C1)OCC(=C)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C)C(=C1)OCC(=C)C

InChI

InChI=1S/C25H28N4O4/c1-16(2)15-32-20-12-17(3)13-21-23(20)18(4)19(24(31)33-21)14-22(30)28-8-10-29(11-9-28)25-26-6-5-7-27-25/h5-7,12-13H,1,8-11,14-15H2,2-4H3