2-(1-adamantyl)-5-[(6-azanyl-3,6-dihydropurin-9-yl)methyl]phenol

Systemtic Name: 2-(1-adamantyl)-5-[(6-azanyl-3,6-dihydropurin-9-yl)methyl]phenol Openeye Name: 2-(1-adamantyl)-5-[(6-amino-3,6-dihydropurin-9-yl)methyl]phenol CAS Name: 2-(1-adamantyl)-5-[(6-amino-3,6-dihydropurin-9-yl)methyl]phenol IUPAC Name: 2-(1-adamantyl)-5-[(6-amino-3,6-dihydropurin-9-yl)methyl]phenol Traditional Name: 2-(1-adamantyl)-5-[(6-amino-3,6-dihydropurin-9-yl)methyl]phenol Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5NC=NC6N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5NC=NC6N)O

InChI

InChI=1S/C22H27N5O/c23-20-19-21(25-11-24-20)27(12-26-19)10-13-1-2-17(18(28)6-13)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11-12,14-16,20,28H,3-5,7-10,23H2,(H,24,25)