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

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Openeye Name: 2-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate CAS Name: 2-[6-[(4-hydroxycyclohexyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol; 1-propen-2-olate IUPAC Name: 2-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; prop-1-en-2-olate Traditional Name: 2-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol; prop-1-en-2-olate Formula: C19H28N5O6- MolecularWeight: 422.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1CC(CCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC(=C)[O-].C1CC(CCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C16H23N5O5.C3H6O/c22-5-10-12(24)13(25)16(26-10)21-7-19-11-14(17-6-18-15(11)21)20-8-1-3-9(23)4-2-8;1-3(2)4/h6-10,12-13,16,22-25H,1-5H2,(H,17,18,20);4H,1H2,2H3/p-1