1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(butylamino)phosphoryl]oxymethyl]-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(butylamino)phosphoryl]oxymethyl]-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(butylamino)phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-(butylamino)phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(butylamino)phosphoryl]oxymethyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[5-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-(butylamino)phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C24H35N8O10P MolecularWeight: 626.556061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC)O)OC3CC(OC3CO)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

CCCCNP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC)O)OC3CC(OC3CO)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C24H35N8O10P/c1-3-4-6-29-43(37,39-10-15-19(35)20(38-2)23(41-15)31-7-5-16(34)30-24(31)36)42-13-8-17(40-14(13)9-33)32-12-28-18-21(25)26-11-27-22(18)32/h5,7,11-15,17,19-20,23,33,35H,3-4,6,8-10H2,1-2H3,(H,29,37)(H2,25,26,27)(H,30,34,36)