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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

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