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

Systemtic Name: 6-azanyl-2-[(2S)-pentan-2-yl]oxy-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-7H-purin-8-one Openeye Name: 6-amino-9-[2-(1-isopropyl-4-piperidyl)ethyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one CAS Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-[2-(1-propan-2-yl-4-piperidinyl)ethyl]-7H-purin-8-one IUPAC Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-7H-purin-8-one Traditional Name: 6-amino-9-[2-(1-isopropyl-4-piperidyl)ethyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one Formula: C20H34N6O2 MolecularWeight: 390.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCC3CCN(CC3)C(C)C

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCC3CCN(CC3)C(C)C

InChI

InChI=1S/C20H34N6O2/c1-5-6-14(4)28-19-23-17(21)16-18(24-19)26(20(27)22-16)12-9-15-7-10-25(11-8-15)13(2)3/h13-15H,5-12H2,1-4H3,(H,22,27)(H2,21,23,24)/t14-/m0/s1