[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-methyl-2-phenyl-pentanoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C20H23N5O3/c1-4-12(2)15(14-8-6-5-7-9-14)20(27)28-13(3)19(26)25-18-16-17(22-10-21-16)23-11-24-18/h5-13,15H,4H2,1-3H3,(H2,21,22,23,24,25,26)