9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[1,3-dioxolan-2-ylmethyl(methyl)amino]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-dioxolan-2-ylmethyl(methyl)amino]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-dioxolan-2-ylmethyl(methyl)amino]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-dioxolan-2-ylmethyl(methyl)amino]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-dioxolan-2-ylmethyl(methyl)amino]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-dioxolan-2-ylmethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C25H34N11O10P MolecularWeight: 679.578921

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCO1)P(=O)(OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O)OC5CC(OC5CO)N6C=NC7=C6N=CN=C7N

Isomeric SMILES

CN(CC1OCCO1)P(=O)(OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O)OC5CC(OC5CO)N6C=NC7=C6N=CN=C7N

InChI

InChI=1S/C25H34N11O10P/c1-34(6-18-41-2-3-42-18)47(40,46-13-5-17(44-14(13)7-37)35-10-30-19-21(26)28-9-29-22(19)35)43-8-15-12(38)4-16(45-15)36-11-31-20-23(36)32-25(27)33-24(20)39/h9-18,37-38H,2-8H2,1H3,(H2,26,28,29)(H3,27,32,33,39)