2-azanyl-9-[5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)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-(1,3-benzodioxol-4-ylmethylamino)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-(1,3-benzodioxol-4-ylmethylamino)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-(1,3-benzodioxol-4-ylmethylamino)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-(1,3-benzodioxol-4-ylmethylamino)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-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C27H32N9O11P MolecularWeight: 689.570441

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(NCC4=C5C(=CC=C4)OCO5)OC6CC(OC6CO)N7C=CC(=NC7=O)N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(NCC4=C5C(=CC=C4)OCO5)OC6CC(OC6CO)N7C=CC(=NC7=O)N)O

InChI

InChI=1S/C27H32N9O11P/c28-19-4-5-35(27(40)32-19)21-7-16(17(9-37)45-21)47-48(41,31-8-13-2-1-3-15-23(13)43-12-42-15)44-10-18-14(38)6-20(46-18)36-11-30-22-24(36)33-26(29)34-25(22)39/h1-5,11,14,16-18,20-21,37-38H,6-10,12H2,(H,31,41)(H2,28,32,40)(H3,29,33,34,39)