2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylamino]-N-cyclopropyl-benzamide CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methylamino]-N-cyclopropylbenzamide IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methylamino]-N-cyclopropylbenzamide Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methylamino]-N-cyclopropyl-benzamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)NC4CC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)NC4CC4)CC

InChI

InChI=1S/C22H28N6O3/c1-3-5-12-28-19-18(21(30)26-22(28)31)27(4-2)17(25-19)13-23-16-9-7-6-8-15(16)20(29)24-14-10-11-14/h6-9,14,23H,3-5,10-13H2,1-2H3,(H,24,29)(H,26,30,31)