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

Systemtic Name: 3-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]propanenitrile Openeye Name: 3-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]propanenitrile CAS Name: 3-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]propanenitrile IUPAC Name: 3-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]propanenitrile Traditional Name: 3-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]propionitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCC#N

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C18H19N5O3/c1-26-11-10-21-13-20-16-15(21)17(24)22(9-5-8-19)18(25)23(16)12-14-6-3-2-4-7-14/h2-4,6-7,13H,5,9-12H2,1H3