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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)C(=O)N(CC)CC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)C(=O)N(CC)CC

InChI

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