2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methylbutanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C28H30N6O6 MolecularWeight: 546.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C28H30N6O6/c1-16(2)22(26(36)39-12-11-38-15-34-14-30-23-24(34)32-27(29)33-25(23)35)31-28(37)40-13-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,14,16,21-22H,11-13,15H2,1-2H3,(H,31,37)(H3,29,32,33,35)/t22-/m0/s1