4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-N-butyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-N-butyl-cyclohexane-1-carboxamide Openeye Name: N-butyl-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclohexanecarboxamide CAS Name: N-butyl-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-cyclohexanecarboxamide IUPAC Name: N-butyl-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclohexane-1-carboxamide Traditional Name: N-butyl-4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cyclohexanecarboxamide Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCC(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3CCC)CCC

Isomeric SMILES

CCCCNC(=O)C1CCC(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3CCC)CCC

InChI

InChI=1S/C22H35N5O3/c1-4-7-12-23-20(28)16-10-8-15(9-11-16)18-24-17-19(25-18)26(13-5-2)22(30)27(14-6-3)21(17)29/h15-16H,4-14H2,1-3H3,(H,23,28)(H,24,25)