[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] nonanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] nonanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] nonanoate CAS Name: nonanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] nonanoate Traditional Name: pelargonic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C18H29N5O5/c1-2-3-4-5-6-7-8-14(25)27-10-13(9-24)28-12-23-11-20-15-16(23)21-18(19)22-17(15)26/h11,13,24H,2-10,12H2,1H3,(H3,19,21,22,26)