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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-12(13-8-6-5-7-9-13)21(3)14(24)10-23-17(25)15-16(19-11-20(15)2)22(4)18(23)26/h5-9,11-12H,10H2,1-4H3/t12-/m0/s1