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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-cyanophenoxy)-N-(2-methylpropyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-cyanophenoxy)-N-isobutyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-cyanophenoxy)-N-(2-methylpropyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-(2-methylpropyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(4-cyanophenoxy)-N-isobutyl-acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)COC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)COC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C21H27N5O4/c1-4-5-10-25-19(23)18(20(28)24-21(25)29)26(12-14(2)3)17(27)13-30-16-8-6-15(11-22)7-9-16/h6-9,14H,4-5,10,12-13,23H2,1-3H3,(H,24,28,29)