N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-cyanophenoxy)-N-(3-methylbutyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-cyanophenoxy)-N-(3-methylbutyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-cyanophenoxy)-N-isopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-cyanophenoxy)-N-(3-methylbutyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(3-methylbutyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(2-cyanophenoxy)-N-isoamyl-acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC=CC=C2C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC=CC=C2C#N)N

InChI

InChI=1S/C22H29N5O4/c1-4-5-11-27-20(24)19(21(29)25-22(27)30)26(12-10-15(2)3)18(28)14-31-17-9-7-6-8-16(17)13-23/h6-9,15H,4-5,10-12,14,24H2,1-3H3,(H,25,29,30)