2-[(2-azanyl-9-oxidanidyl-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxy-propan-1-ol

Systemtic Name: 2-[(2-azanyl-9-oxidanidyl-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxy-propan-1-ol Openeye Name: 2-[(2-amino-9-oxido-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxy-propan-1-ol CAS Name: 2-[(2-amino-9-oxido-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxy-1-propanol IUPAC Name: 2-[(2-amino-9-oxido-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxypropan-1-ol Traditional Name: 2-[(2-amino-9-oxido-3,6-dihydropurin-9-ium-9-yl)methoxy]-3-heptoxy-propan-1-ol Formula: C16H29N5O4 MolecularWeight: 355.43256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(CO)OC[N+]1(C=NC2=C1NC(=NC2)N)[O-]

Isomeric SMILES

CCCCCCCOCC(CO)OC[N+]1(C=NC2=C1NC(=NC2)N)[O-]

InChI

InChI=1S/C16H29N5O4/c1-2-3-4-5-6-7-24-10-13(9-22)25-12-21(23)11-19-14-8-18-16(17)20-15(14)21/h11,13,22H,2-10,12H2,1H3,(H3,17,18,20)