6-azanyl-2-[(2S)-pentan-2-yl]oxy-9-(3-piperidin-4-ylpropyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[(2S)-pentan-2-yl]oxy-9-(3-piperidin-4-ylpropyl)-7H-purin-8-one Openeye Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-[3-(4-piperidyl)propyl]-7H-purin-8-one CAS Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-[3-(4-piperidinyl)propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-[(2S)-pentan-2-yl]oxy-9-(3-piperidin-4-ylpropyl)-7H-purin-8-one Traditional Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-[3-(4-piperidyl)propyl]-7H-purin-8-one Formula: C18H30N6O2 MolecularWeight: 362.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCNCC3

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCNCC3

InChI

InChI=1S/C18H30N6O2/c1-3-5-12(2)26-17-22-15(19)14-16(23-17)24(18(25)21-14)11-4-6-13-7-9-20-10-8-13/h12-13,20H,3-11H2,1-2H3,(H,21,25)(H2,19,22,23)/t12-/m0/s1