6-azanyl-9-[4-(2,2-dimethyloxan-4-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[4-(2,2-dimethyloxan-4-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Openeye Name: 6-amino-9-[4-(2,2-dimethyltetrahydropyran-4-yl)butyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one CAS Name: 6-amino-9-[4-(2,2-dimethyl-4-oxanyl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one IUPAC Name: 6-amino-9-[4-(2,2-dimethyloxan-4-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Traditional Name: 6-amino-9-[4-(2,2-dimethyltetrahydropyran-4-yl)butyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one Formula: C21H35N5O3 MolecularWeight: 405.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCC3CCOC(C3)(C)C

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCC3CCOC(C3)(C)C

InChI

InChI=1S/C21H35N5O3/c1-5-8-14(2)29-19-24-17(22)16-18(25-19)26(20(27)23-16)11-7-6-9-15-10-12-28-21(3,4)13-15/h14-15H,5-13H2,1-4H3,(H,23,27)(H2,22,24,25)/t14-,15?/m0/s1