(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; 3,7-dimethyl-1-propargyl-xanthine Formula: C20H23N9O6 MolecularWeight: 485.45332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C.C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C10H10N4O2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1,6H,5H2,2-3H3/t4-,6-,7-,10-;/m1./s1