2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H25N5O3/c1-13(2)10-15(14-8-6-5-7-9-14)22-16(26)11-25-19(27)17-18(21-12-23(17)3)24(4)20(25)28/h5-9,12-13,15H,10-11H2,1-4H3,(H,22,26)/t15-/m0/s1