2-[6-azanyl-2-hex-1-ynyl-8-[(phenylmethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-hex-1-ynyl-8-[(phenylmethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(benzylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-hex-1-ynyl-8-[(phenylmethyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(benzylamino)-2-hex-1-ynylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(benzylamino)-2-hex-1-ynyl-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O4/c1-2-3-4-8-11-16-26-20(24)17-21(27-16)29(22-19(32)18(31)15(13-30)33-22)23(28-17)25-12-14-9-6-5-7-10-14/h5-7,9-10,15,18-19,22,30-32H,2-4,12-13H2,1H3,(H,25,28)(H2,24,26,27)