3-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-(2-azanylethyl)-3-phenoxy-propanamide

Systemtic Name: 3-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-(2-azanylethyl)-3-phenoxy-propanamide Openeye Name: N-(2-aminoethyl)-3-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-phenoxy-propanamide CAS Name: N-(2-aminoethyl)-3-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-3-phenoxypropanamide IUPAC Name: N-(2-aminoethyl)-3-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-3-phenoxypropanamide Traditional Name: 3-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-N-(2-aminoethyl)-3-phenoxy-propionamide Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC(=O)NCCN)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC(=O)NCCN)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C20H25N7O5/c21-6-7-23-13(28)8-12(31-11-4-2-1-3-5-11)17-15(29)16(30)20(32-17)27-10-26-14-18(22)24-9-25-19(14)27/h1-5,9-10,12,15-17,20,29-30H,6-8,21H2,(H,23,28)(H2,22,24,25)