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

Systemtic Name: 2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetonitrile CAS Name: 2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetonitrile Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]acetonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3/c1-25-10-9-20-12-19-15-14(20)16(23)21(8-7-18)17(24)22(15)11-13-5-3-2-4-6-13/h2-6,12H,8-11H2,1H3