methyl 3-[6-azanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]-8-oxidanylidene-7H-purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]-8-oxidanylidene-7H-purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-9-[[3-(2-methoxy-2-oxo-ethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoate CAS Name: 3-[6-amino-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoate Traditional Name: 3-[6-amino-8-keto-9-[3-(2-keto-2-methoxy-ethyl)benzyl]-7H-purin-2-yl]propionic acid methyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COC(=O)CCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C19H21N5O5/c1-28-14(25)7-6-13-21-17(20)16-18(22-13)24(19(27)23-16)10-12-5-3-4-11(8-12)9-15(26)29-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,23,27)(H2,20,21,22)