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

Systemtic Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[(3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methylamino]-N-cyclopropyl-benzamide CAS Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methylamino]-N-cyclopropylbenzamide IUPAC Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methylamino]-N-cyclopropylbenzamide Traditional Name: 2-[(3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methylamino]-N-cyclopropyl-benzamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O3/c1-4-5-13-31-22-21(24(33)29-25(31)34)30(14-12-16(2)3)20(28-22)15-26-19-9-7-6-8-18(19)23(32)27-17-10-11-17/h6-9,16-17,26H,4-5,10-15H2,1-3H3,(H,27,32)(H,29,33,34)