6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 6-[[4-(2-pyrimidyl)piperazino]methyl]coumarin Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OC(=O)C=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OC(=O)C=C3)C4=NC=CC=N4

InChI

InChI=1S/C18H18N4O2/c23-17-5-3-15-12-14(2-4-16(15)24-17)13-21-8-10-22(11-9-21)18-19-6-1-7-20-18/h1-7,12H,8-11,13H2