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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1CCN(CC1)C2=NC=CC=N2)C3=NC4=CC=CC=C4OC3

Isomeric SMILES

CN(CCCCN1CCN(CC1)C2=NC=CC=N2)C3=NC4=CC=CC=C4OC3

InChI

InChI=1S/C21H28N6O/c1-25(20-17-28-19-8-3-2-7-18(19)24-20)11-4-5-12-26-13-15-27(16-14-26)21-22-9-6-10-23-21/h2-3,6-10H,4-5,11-17H2,1H3