methyl 4-[6-azanyl-9-(1-phenylpropyl)purin-2-yl]oxy-2-methyl-butanoate

Systemtic Name: methyl 4-[6-azanyl-9-(1-phenylpropyl)purin-2-yl]oxy-2-methyl-butanoate Openeye Name: methyl 4-[6-amino-9-(1-phenylpropyl)purin-2-yl]oxy-2-methyl-butanoate CAS Name: 4-[[6-amino-9-(1-phenylpropyl)-2-purinyl]oxy]-2-methylbutanoic acid methyl ester IUPAC Name: methyl 4-[6-amino-9-(1-phenylpropyl)purin-2-yl]oxy-2-methylbutanoate Traditional Name: 4-[6-amino-9-(1-phenylpropyl)purin-2-yl]oxy-2-methyl-butyric acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)N2C=NC3=C2N=C(N=C3N)OCCC(C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)N2C=NC3=C2N=C(N=C3N)OCCC(C)C(=O)OC

InChI

InChI=1S/C20H25N5O3/c1-4-15(14-8-6-5-7-9-14)25-12-22-16-17(21)23-20(24-18(16)25)28-11-10-13(2)19(26)27-3/h5-9,12-13,15H,4,10-11H2,1-3H3,(H2,21,23,24)