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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(2S)-2-phenylbutyl]acetamide Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c1-4-13(14-8-6-5-7-9-14)10-20-15(25)11-24-12-21-17-16(24)18(26)23(3)19(27)22(17)2/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,25)/t13-/m1/s1