1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propylamino]phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C25H38N9O10P MolecularWeight: 655.597281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N9O10P/c1-32(2)7-4-6-30-45(39,41-11-16-20(37)21(40-3)24(43-16)33-8-5-17(36)31-25(33)38)44-14-9-18(42-15(14)10-35)34-13-29-19-22(26)27-12-28-23(19)34/h5,8,12-16,18,20-21,24,35,37H,4,6-7,9-11H2,1-3H3,(H,30,39)(H2,26,27,28)(H,31,36,38)