9-[4-[[5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-3H-purin-6-one

Systemtic Name: 9-[4-[[5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-3H-purin-6-one Openeye Name: 2-amino-9-[4-[[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-[[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-[[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[4-[(5-adenin-9-yl-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl)methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-5-methylol-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C26H39N12O9P MolecularWeight: 694.636621

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC)O)OC4CC(OC4CO)N5C=NC6=C5NC(=NC6=O)N

Isomeric SMILES

CN(C)CCCNP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC)O)OC4CC(OC4CO)N5C=NC6=C5NC(=NC6=O)N

InChI

InChI=1S/C26H39N12O9P/c1-36(2)6-4-5-33-48(42,47-13-7-16(45-14(13)8-39)37-11-32-18-23(37)34-26(28)35-24(18)41)44-9-15-19(40)20(43-3)25(46-15)38-12-31-17-21(27)29-10-30-22(17)38/h10-16,19-20,25,39-40H,4-9H2,1-3H3,(H,33,42)(H2,27,29,30)(H3,28,34,35,41)