(2R,3S,5R)-5-(6-azanyl-8-pyren-1-yl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S,5R)-5-(6-azanyl-8-pyren-1-yl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S,5R)-5-(6-amino-8-pyren-1-yl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-5-[6-amino-8-(1-pyrenyl)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S,5R)-5-(6-amino-8-pyren-1-ylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S,5R)-5-(6-amino-8-pyren-1-yl-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)N)N=C2C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CO)O

InChI

InChI=1S/C26H21N5O3/c27-24-23-26(29-12-28-24)31(20-10-18(33)19(11-32)34-20)25(30-23)17-9-7-15-5-4-13-2-1-3-14-6-8-16(17)22(15)21(13)14/h1-9,12,18-20,32-33H,10-11H2,(H2,27,28,29)/t18-,19+,20+/m0/s1