2-(hydroxymethyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Openeye Name: 2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate CAS Name: 2-(hydroxymethyl)-5-[6-[(phenylmethyl)amino]-9-purinyl]oxolane-3,4-diol; 1-propen-2-olate IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; prop-1-en-2-olate Traditional Name: 2-[6-(benzylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol; prop-1-en-2-olate Formula: C20H24N5O5- MolecularWeight: 414.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(=C)[O-].C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H19N5O4.C3H6O/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10;1-3(2)4/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20);4H,1H2,2H3/p-1