2-[1-[8-chloranyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]benzenecarbonitrile

Systemtic Name: 2-[1-[8-chloranyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]benzenecarbonitrile Openeye Name: 2-[1-(8-chloro-3-methyl-2,6-dioxo-purin-7-yl)ethyl]benzonitrile CAS Name: 2-[1-(8-chloro-3-methyl-2,6-dioxo-7-purinyl)ethyl]benzonitrile IUPAC Name: 2-[1-(8-chloro-3-methyl-2,6-dioxopurin-7-yl)ethyl]benzonitrile Traditional Name: 2-[1-(8-chloro-2,6-diketo-3-methyl-purin-7-yl)ethyl]benzonitrile Formula: C15H12ClN5O2 MolecularWeight: 329.74108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2Cl)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2Cl)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H12ClN5O2/c1-8(10-6-4-3-5-9(10)7-17)21-11-12(18-14(21)16)20(2)15(23)19-13(11)22/h3-6,8H,1-2H3,(H,19,22,23)