N-ethyl-3-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-8-propan-2-yl-purin-6-amine

Systemtic Name: N-ethyl-3-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-8-propan-2-yl-purin-6-amine Openeye Name: N-ethyl-8-isopropyl-3-[(1-oxidopyridin-1-ium-4-yl)methyl]purin-6-amine CAS Name: N-ethyl-3-[(1-oxido-4-pyridin-1-iumyl)methyl]-8-propan-2-yl-6-purinamine IUPAC Name: N-ethyl-3-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-propan-2-ylpurin-6-amine Traditional Name: ethyl-[8-isopropyl-3-[(1-oxidopyridin-1-ium-4-yl)methyl]purin-6-yl]amine Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H20N6O/c1-4-17-15-13-16(20-14(19-13)11(2)3)21(10-18-15)9-12-5-7-22(23)8-6-12/h5-8,10-11,17H,4,9H2,1-3H3