2-[1-adamantyl-(4-azanyl-1,2-dihydroacenaphthylen-3-yl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[1-adamantyl-(4-azanyl-1,2-dihydroacenaphthylen-3-yl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-[1-adamantyl-(4-amino-1,2-dihydroacenaphthylen-3-yl)amino]-3,7-dihydropurin-6-one CAS Name: 2-[1-adamantyl-(4-amino-1,2-dihydroacenaphthylen-3-yl)amino]-3,7-dihydropurin-6-one IUPAC Name: 2-[1-adamantyl-(4-amino-1,2-dihydroacenaphthylen-3-yl)amino]-3,7-dihydropurin-6-one Traditional Name: 2-[1-adamantyl-(4-aminoacenaphthen-3-yl)amino]-3,7-dihydropurin-6-one Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C1=CC=CC3=CC(=C2N(C4=NC(=O)C5=C(N4)N=CN5)C67CC8CC(C6)CC(C8)C7)N

Isomeric SMILES

C1CC2=C3C1=CC=CC3=CC(=C2N(C4=NC(=O)C5=C(N4)N=CN5)C67CC8CC(C6)CC(C8)C7)N

InChI

InChI=1S/C27H28N6O/c28-20-9-18-3-1-2-17-4-5-19(21(17)18)23(20)33(26-31-24-22(25(34)32-26)29-13-30-24)27-10-14-6-15(11-27)8-16(7-14)12-27/h1-3,9,13-16H,4-8,10-12,28H2,(H2,29,30,31,32,34)