4-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]benzenecarbonitrile Openeye Name: 4-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-8-yl]benzonitrile CAS Name: 4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile IUPAC Name: 4-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-8-yl]benzonitrile Traditional Name: 4-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-8-yl]benzonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-30-12-11-26-18-20(24-19(26)17-9-7-15(13-23)8-10-17)27(22(29)25-21(18)28)14-16-5-3-2-4-6-16/h2-10H,11-12,14H2,1H3,(H,25,28,29)