tert-butyl N-[(Z)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]but-2-enyl]carbamate

Systemtic Name: tert-butyl N-[(Z)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]but-2-enyl]carbamate Openeye Name: tert-butyl N-[(Z)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]but-2-enyl]carbamate CAS Name: N-[(Z)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylamino]but-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]but-2-enyl]carbamate Traditional Name: N-[(Z)-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]but-2-enyl]carbamic acid tert-butyl ester Formula: C20H31N7O5 MolecularWeight: 449.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC=CCN(C)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC/C=C\CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C20H31N7O5/c1-20(2,3)32-19(30)22-7-5-6-8-26(4)9-12-14(28)15(29)18(31-12)27-11-25-13-16(21)23-10-24-17(13)27/h5-6,10-12,14-15,18,28-29H,7-9H2,1-4H3,(H,22,30)(H2,21,23,24)/b6-5-/t12-,14-,15-,18-/m1/s1