6-azanyl-9-[5-(oxan-4-ylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[5-(oxan-4-ylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Openeye Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-[5-(tetrahydropyran-4-ylamino)pentyl]-7H-purin-8-one CAS Name: 6-amino-9-[5-(4-oxanylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one IUPAC Name: 6-amino-9-[5-(oxan-4-ylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Traditional Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-[5-(tetrahydropyran-4-ylamino)pentyl]-7H-purin-8-one Formula: C20H34N6O3 MolecularWeight: 406.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCNC3CCOCC3

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCNC3CCOCC3

InChI

InChI=1S/C20H34N6O3/c1-3-7-14(2)29-19-24-17(21)16-18(25-19)26(20(27)23-16)11-6-4-5-10-22-15-8-12-28-13-9-15/h14-15,22H,3-13H2,1-2H3,(H,23,27)(H2,21,24,25)/t14-/m0/s1