6-azanyl-2-[(2S)-pentan-2-yl]oxy-9-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[(2S)-pentan-2-yl]oxy-9-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-7H-purin-8-one Openeye Name: 6-amino-9-[3-(1-isopropyl-4-piperidyl)propyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one CAS Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-[3-(1-propan-2-yl-4-piperidinyl)propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-7H-purin-8-one Traditional Name: 6-amino-9-[3-(1-isopropyl-4-piperidyl)propyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one Formula: C21H36N6O2 MolecularWeight: 404.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCN(CC3)C(C)C

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCN(CC3)C(C)C

InChI

InChI=1S/C21H36N6O2/c1-5-7-15(4)29-20-24-18(22)17-19(25-20)27(21(28)23-17)11-6-8-16-9-12-26(13-10-16)14(2)3/h14-16H,5-13H2,1-4H3,(H,23,28)(H2,22,24,25)/t15-/m0/s1