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2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; docosan-1-ol

2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; docosan-1-ol

Systemtic Name:2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; docosan-1-ol
Openeye Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; docosan-1-ol
CAS Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 1-docosanol
IUPAC Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; docosan-1-ol
Traditional Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; docosan-1-ol
Formula: C30H57N5O4
MolecularWeight: 551.80468
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCO.C1=NC2=C(N1COCCO)NC(=NC2=O)N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCO.C1=NC2=C(N1COCCO)NC(=NC2=O)N


InChI

InChI=1S/C22H46O.C8H11N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h23H,2-22H2,1H3;3,14H,1-2,4H2,(H3,9,11,12,15)


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