9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-azanyl-3H-purin-6-one

Systemtic Name: 9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-azanyl-3H-purin-6-one Openeye Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[5-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C28H32N11O10P MolecularWeight: 713.595141

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(NCC4=C5C(=CC=C4)OCO5)OC6CC(OC6CO)N7C=NC8=C7N=CN=C8N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(NCC4=C5C(=CC=C4)OCO5)OC6CC(OC6CO)N7C=NC8=C7N=CN=C8N)O

InChI

InChI=1S/C28H32N11O10P/c29-24-21-25(32-9-31-24)38(10-33-21)20-5-16(17(7-40)47-20)49-50(43,35-6-13-2-1-3-15-23(13)45-12-44-15)46-8-18-14(41)4-19(48-18)39-11-34-22-26(39)36-28(30)37-27(22)42/h1-3,9-11,14,16-20,40-41H,4-8,12H2,(H,35,43)(H2,29,31,32)(H3,30,36,37,42)