N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)propan-1-amine oxide

Systemtic Name: N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)propan-1-amine oxide Openeye Name: N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)propan-1-amine oxide CAS Name: N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(2-pyrimidinylamino)-1-propanamine oxide IUPAC Name: N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)propan-1-amine oxide Traditional Name: N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethyl)-3-(2-pyrimidylamino)propan-1-amine oxide Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(N=CC=C2)OC1C[NH+](CCCNC3=NC=CC=N3)[O-]

Isomeric SMILES

C1CC2=C(N=CC=C2)OC1C[NH+](CCCNC3=NC=CC=N3)[O-]

InChI

InChI=1S/C16H21N5O2/c22-21(11-3-10-20-16-18-8-2-9-19-16)12-14-6-5-13-4-1-7-17-15(13)23-14/h1-2,4,7-9,14,21H,3,5-6,10-12H2,(H,18,19,20)