4-[[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[(3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methylamino]-N,N-dimethyl-benzamide CAS Name: 4-[[3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methylamino]-N,N-dimethylbenzamide IUPAC Name: 4-[[3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methylamino]-N,N-dimethylbenzamide Traditional Name: 4-[(3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methylamino]-N,N-dimethyl-benzamide Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=C(C=C3)C(=O)N(C)C)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=C(C=C3)C(=O)N(C)C)CCC(C)C

InChI

InChI=1S/C24H34N6O3/c1-6-7-13-30-21-20(22(31)27-24(30)33)29(14-12-16(2)3)19(26-21)15-25-18-10-8-17(9-11-18)23(32)28(4)5/h8-11,16,25H,6-7,12-15H2,1-5H3,(H,27,31,33)