N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2H-1,4-benzoxazin-3-amine

Systemtic Name: N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2H-1,4-benzoxazin-3-amine Openeye Name: N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2H-1,4-benzoxazin-3-amine CAS Name: N-[5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]-2H-1,4-benzoxazin-3-amine IUPAC Name: N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2H-1,4-benzoxazin-3-amine Traditional Name: 2H-1,4-benzoxazin-3-yl-[5-[4-(2-pyrimidyl)piperazino]pentyl]amine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCNC2=NC3=CC=CC=C3OC2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCCNC2=NC3=CC=CC=C3OC2)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1(4-9-22-20-17-28-19-8-3-2-7-18(19)25-20)5-12-26-13-15-27(16-14-26)21-23-10-6-11-24-21/h2-3,6-8,10-11H,1,4-5,9,12-17H2,(H,22,25)