[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-ethanoyl-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-propyl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-ethanoyl-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-propyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[3-acetyl-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-propyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[3-acetyl-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxopropyl] ester IUPAC Name: [1-[3-acetyl-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxopropyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [1-[3-acetyl-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-propyl] ester Formula: C20H29N7O7 MolecularWeight: 479.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)(C(=O)C)O)OC(=O)C(CCCCN)N

Isomeric SMILES

CC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)(C(=O)C)O)OC(=O)C(CCCCN)N

InChI

InChI=1S/C20H29N7O7/c1-9(28)14(34-18(31)11(22)5-3-4-6-21)15-20(32,10(2)29)7-12(33-15)27-8-24-13-16(27)25-19(23)26-17(13)30/h8,11-12,14-15,32H,3-7,21-22H2,1-2H3,(H3,23,25,26,30)