2-methyl-6-phenyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one

Systemtic Name: 2-methyl-6-phenyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Openeye Name: 2-methyl-6-phenyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one CAS Name: 2-methyl-6-phenyl-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]-1,2,4-triazin-3-one IUPAC Name: 2-methyl-6-phenyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Traditional Name: 2-methyl-6-phenyl-5-[4-[4-(2-pyrimidyl)piperazino]butoxy]-1,2,4-triazin-3-one Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N=C(C(=N1)C2=CC=CC=C2)OCCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C(=O)N=C(C(=N1)C2=CC=CC=C2)OCCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N7O2/c1-27-22(30)25-20(19(26-27)18-8-3-2-4-9-18)31-17-6-5-12-28-13-15-29(16-14-28)21-23-10-7-11-24-21/h2-4,7-11H,5-6,12-17H2,1H3