2-azanyl-9-[5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C26H41N10O9P MolecularWeight: 668.639101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)P(=O)(OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4CC(OC4CO)N5C=CC(=NC5=O)N

Isomeric SMILES

CCN(CC)CCN(C)P(=O)(OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4CC(OC4CO)N5C=CC(=NC5=O)N

InChI

InChI=1S/C26H41N10O9P/c1-4-34(5-2)9-8-33(3)46(41,45-16-11-21(43-17(16)12-37)35-7-6-19(27)30-26(35)40)42-13-18-15(38)10-20(44-18)36-14-29-22-23(36)31-25(28)32-24(22)39/h6-7,14-18,20-21,37-38H,4-5,8-13H2,1-3H3,(H2,27,30,40)(H3,28,31,32,39)