9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(butylamino)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-(butylamino)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-(butylamino)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-(butylamino)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-(butylamino)phosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[5-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-(butylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C24H34N11O8P MolecularWeight: 635.569421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNP(=O)(OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N

Isomeric SMILES

CCCCNP(=O)(OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N

InChI

InChI=1S/C24H34N11O8P/c1-2-3-4-31-44(39,43-13-6-17(41-14(13)7-36)34-10-29-18-20(25)27-9-28-21(18)34)40-8-15-12(37)5-16(42-15)35-11-30-19-22(35)32-24(26)33-23(19)38/h9-17,36-37H,2-8H2,1H3,(H,31,39)(H2,25,27,28)(H3,26,32,33,38)