methyl 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylate

Systemtic Name: methyl 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylate Openeye Name: methyl 3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylate CAS Name: 3-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylate Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C21H25N7O6 MolecularWeight: 471.4665

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)NC2C(C(OC2C(=O)OC)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)NC2C(C(OC2C(=O)OC)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C21H25N7O6/c1-32-11-5-3-10(4-6-11)7-12(22)19(30)27-13-15(29)20(34-16(13)21(31)33-2)28-9-26-14-17(23)24-8-25-18(14)28/h3-6,8-9,12-13,15-16,20,29H,7,22H2,1-2H3,(H,27,30)(H2,23,24,25)