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

Systemtic Name: 2-[[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)methyl]benzonitrile CAS Name: 2-[(8-bromo-3-methyl-2,6-dioxo-7-purinyl)methyl]benzonitrile IUPAC Name: 2-[(8-bromo-3-methyl-2,6-dioxopurin-7-yl)methyl]benzonitrile Traditional Name: 2-[(8-bromo-2,6-diketo-3-methyl-purin-7-yl)methyl]benzonitrile Formula: C14H10BrN5O2 MolecularWeight: 360.1655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3C#N

InChI

InChI=1S/C14H10BrN5O2/c1-19-11-10(12(21)18-14(19)22)20(13(15)17-11)7-9-5-3-2-4-8(9)6-16/h2-5H,7H2,1H3,(H,18,21,22)