4-methyl-7-oxidanyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]chromen-2-one Traditional Name: 7-hydroxy-3-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-4-methyl-coumarin Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O4/c1-14-16-4-3-15(26)13-18(16)29-20(28)17(14)5-6-19(27)24-9-11-25(12-10-24)21-22-7-2-8-23-21/h2-4,7-8,13,26H,5-6,9-12H2,1H3