dimethyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]butanedioate Openeye Name: dimethyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanedioate CAS Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanedioate Traditional Name: (2S)-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]succinic acid dimethyl ester Formula: C17H26N6O6 MolecularWeight: 410.42494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC(CC(=O)OC)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN[C@@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H26N6O6/c1-4-5-8-29-16-21-13(18)12-14(22-16)23(17(26)20-12)7-6-19-10(15(25)28-3)9-11(24)27-2/h10,19H,4-9H2,1-3H3,(H,20,26)(H2,18,21,22)/t10-/m0/s1