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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1S)-1-naphthalen-2-ylethyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(1S)-1-(2-naphthyl)ethyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(1S)-1-(2-naphthalenyl)ethyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(1S)-1-(2-naphthyl)ethyl]acetamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H21N5O3/c1-13(15-9-8-14-6-4-5-7-16(14)10-15)23-17(27)11-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2/h4-10,12-13H,11H2,1-3H3,(H,23,27)/t13-/m0/s1