ethyl 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-[5-(3,6-dihydropurin-7-yl)pentoxy]phenoxy]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C26H38N4O4 MolecularWeight: 470.60432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=NC3=C2CN=CN3

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=NC3=C2CN=CN3

InChI

InChI=1S/C26H38N4O4/c1-4-32-25(31)26(2,3)14-6-9-17-34-22-12-10-21(11-13-22)33-16-8-5-7-15-30-20-29-24-23(30)18-27-19-28-24/h10-13,19-20H,4-9,14-18H2,1-3H3,(H,27,28)