2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(6-nitropyren-1-yl)amino]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(6-nitropyren-1-yl)amino]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(6-nitropyren-1-yl)amino]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-[(6-nitro-1-pyrenyl)amino]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(6-nitropyren-1-yl)amino]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-[(6-nitropyren-1-yl)amino]-3H-purin-6-one Formula: C26H21N7O6 MolecularWeight: 527.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)[N+](=O)[O-])C=C4)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)[N+](=O)[O-])C=C4)CO)O

InChI

InChI=1S/C26H21N7O6/c27-25-30-23-22(24(36)31-25)29-26(32(23)19-9-17(35)18(10-34)39-19)28-15-7-3-11-2-6-14-16(33(37)38)8-4-12-1-5-13(15)20(11)21(12)14/h1-8,17-19,34-35H,9-10H2,(H,28,29)(H3,27,30,31,36)/t17-,18+,19+/m0/s1