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

Systemtic Name: N-[4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine Openeye Name: N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine CAS Name: N-[4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-2H-1,4-benzoxazin-3-amine IUPAC Name: N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-2H-1,4-benzoxazin-3-amine Traditional Name: 2H-1,4-benzoxazin-3-yl-[4-[4-(5-fluoropyrimidin-2-yl)piperazino]butyl]amine Formula: C20H25FN6O MolecularWeight: 384.450503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC2=NC3=CC=CC=C3OC2)C4=NC=C(C=N4)F

Isomeric SMILES

C1CN(CCN1CCCCNC2=NC3=CC=CC=C3OC2)C4=NC=C(C=N4)F

InChI

InChI=1S/C20H25FN6O/c21-16-13-23-20(24-14-16)27-11-9-26(10-12-27)8-4-3-7-22-19-15-28-18-6-2-1-5-17(18)25-19/h1-2,5-6,13-14H,3-4,7-12,15H2,(H,22,25)