3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]propanenitrile

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]propanenitrile Openeye Name: 3-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 3-[8-bromo-3-methyl-2,6-dioxo-1-(phenylmethyl)-7-purinyl]propanenitrile IUPAC Name: 3-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 3-(1-benzyl-8-bromo-2,6-diketo-3-methyl-purin-7-yl)propionitrile Formula: C16H14BrN5O2 MolecularWeight: 388.21866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CCC#N

InChI

InChI=1S/C16H14BrN5O2/c1-20-13-12(21(9-5-8-18)15(17)19-13)14(23)22(16(20)24)10-11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3