2-[6-azanyl-2-(4-cycloheptylbut-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(4-cycloheptylbut-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(4-cycloheptylbut-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(4-cycloheptylbut-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(4-cycloheptylbut-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(4-cycloheptylbut-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1CCCC(CC1)CCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C21H29N5O4/c22-19-16-20(26(12-23-16)21-18(29)17(28)14(11-27)30-21)25-15(24-19)10-6-5-9-13-7-3-1-2-4-8-13/h12-14,17-18,21,27-29H,1-5,7-9,11H2,(H2,22,24,25)