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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1C(=NC2=CC=CC=C2O1)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CNC1C(=NC2=CC=CC=C2O1)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

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