[2-(2-azanylpyrimidin-5-yl)-3-methyl-3-[2-(oxan-2-yloxy)ethyl]-2H-1,3-benzoxazol-3-ium-7-yl]methanol

Systemtic Name: [2-(2-azanylpyrimidin-5-yl)-3-methyl-3-[2-(oxan-2-yloxy)ethyl]-2H-1,3-benzoxazol-3-ium-7-yl]methanol Openeye Name: [2-(2-aminopyrimidin-5-yl)-3-methyl-3-(2-tetrahydropyran-2-yloxyethyl)-2H-1,3-benzoxazol-3-ium-7-yl]methanol CAS Name: [2-(2-amino-5-pyrimidinyl)-3-methyl-3-[2-(2-oxanyloxy)ethyl]-2H-1,3-benzoxazol-3-ium-7-yl]methanol IUPAC Name: [2-(2-aminopyrimidin-5-yl)-3-methyl-3-[2-(oxan-2-yloxy)ethyl]-2H-1,3-benzoxazol-3-ium-7-yl]methanol Traditional Name: [2-(2-aminopyrimidin-5-yl)-3-methyl-3-(2-tetrahydropyran-2-yloxyethyl)-2H-1,3-benzoxazol-3-ium-7-yl]methanol Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(OC2=C(C=CC=C21)CO)C3=CN=C(N=C3)N)CCOC4CCCCO4

Isomeric SMILES

C[N+]1(C(OC2=C(C=CC=C21)CO)C3=CN=C(N=C3)N)CCOC4CCCCO4

InChI

InChI=1S/C20H27N4O4/c1-24(8-10-27-17-7-2-3-9-26-17)16-6-4-5-14(13-25)18(16)28-19(24)15-11-22-20(21)23-12-15/h4-6,11-12,17,19,25H,2-3,7-10,13H2,1H3,(H2,21,22,23)/q+1