2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-naphthalen-1-ylethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-naphthalen-1-ylethyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[1-(1-naphthyl)ethyl]acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[1-(1-naphthalenyl)ethyl]acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-naphthalen-1-ylethyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[1-(1-naphthyl)ethyl]acetamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C21H20ClN5O3/c1-12(14-10-6-8-13-7-4-5-9-15(13)14)23-16(28)11-27-17-18(24-20(27)22)25(2)21(30)26(3)19(17)29/h4-10,12H,11H2,1-3H3,(H,23,28)