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

Systemtic Name: 6-azanyl-9-[2-(oxan-4-yl)ethyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Openeye Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-(2-tetrahydropyran-4-ylethyl)-7H-purin-8-one CAS Name: 6-amino-9-[2-(4-oxanyl)ethyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one IUPAC Name: 6-amino-9-[2-(oxan-4-yl)ethyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Traditional Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-(2-tetrahydropyran-4-ylethyl)-7H-purin-8-one Formula: C17H27N5O3 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCC3CCOCC3

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCC3CCOCC3

InChI

InChI=1S/C17H27N5O3/c1-3-4-11(2)25-16-20-14(18)13-15(21-16)22(17(23)19-13)8-5-12-6-9-24-10-7-12/h11-12H,3-10H2,1-2H3,(H,19,23)(H2,18,20,21)/t11-/m0/s1