2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=CC=N5

InChI

InChI=1S/C21H20N6OS/c28-20-17-6-2-1-5-16(17)19(18-7-3-14-29-18)24-27(20)15-25-10-12-26(13-11-25)21-22-8-4-9-23-21/h1-9,14H,10-13,15H2