N-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine

Systemtic Name: N-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine Openeye Name: N-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine CAS Name: N-[4-[4-(5-methyl-2-pyrimidinyl)-1-piperazinyl]butyl]-2H-1,4-benzoxazin-3-amine IUPAC Name: N-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine Traditional Name: 2H-1,4-benzoxazin-3-yl-[4-[4-(5-methylpyrimidin-2-yl)piperazino]butyl]amine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)N2CCN(CC2)CCCCNC3=NC4=CC=CC=C4OC3

Isomeric SMILES

CC1=CN=C(N=C1)N2CCN(CC2)CCCCNC3=NC4=CC=CC=C4OC3

InChI

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