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

Systemtic Name: 4-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]benzenecarbonitrile Openeye Name: 4-[7-(2-methoxyethyl)-2,6-dioxo-3-propyl-purin-8-yl]benzonitrile CAS Name: 4-[7-(2-methoxyethyl)-2,6-dioxo-3-propyl-8-purinyl]benzonitrile IUPAC Name: 4-[7-(2-methoxyethyl)-2,6-dioxo-3-propylpurin-8-yl]benzonitrile Traditional Name: 4-[2,6-diketo-7-(2-methoxyethyl)-3-propyl-purin-8-yl]benzonitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CCOC

InChI

InChI=1S/C18H19N5O3/c1-3-8-23-16-14(17(24)21-18(23)25)22(9-10-26-2)15(20-16)13-6-4-12(11-19)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,21,24,25)