3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenethyl-propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenethylpropanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenethylpropanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenethyl-propionamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(12-20-16)11-9-14(24)19-10-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,24)