4-[[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]methyl]benzonitrile CAS Name: 4-[[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]methyl]benzonitrile IUPAC Name: 4-[[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]methyl]benzonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C22H21N5O3/c1-2-3-10-26-20-19(25(15-24-20)14-18-5-4-11-30-18)21(28)27(22(26)29)13-17-8-6-16(12-23)7-9-17/h4-9,11,15H,2-3,10,13-14H2,1H3