2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-3-methyl-butanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-3-methyl-butanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-[[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]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-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]-3-methyl-butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C18H26N6O6 MolecularWeight: 422.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=CC(=O)OC)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N/C(=C/C(=O)OC)/C

InChI

InChI=1S/C18H26N6O6/c1-10(2)13(21-11(3)7-12(25)28-4)17(27)30-6-5-29-9-24-8-20-14-15(24)22-18(19)23-16(14)26/h7-8,10,13,21H,5-6,9H2,1-4H3,(H3,19,22,23,26)/b11-7+/t13-/m0/s1