N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-cyanophenoxy)-N-cyclopentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-cyanophenoxy)-N-cyclopentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-cyanophenoxy)-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-cyanophenoxy)-N-cyclopentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(2-cyanophenoxy)-N-cyclopentyl-acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)COC3=CC=CC=C3C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)COC3=CC=CC=C3C#N)N

InChI

InChI=1S/C22H27N5O4/c1-2-3-12-26-20(24)19(21(29)25-22(26)30)27(16-9-5-6-10-16)18(28)14-31-17-11-7-4-8-15(17)13-23/h4,7-8,11,16H,2-3,5-6,9-10,12,14,24H2,1H3,(H,25,29,30)