(E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-cyclopentyl-3-phenyl-prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-3-phenyl-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3-phenylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-cyclopentyl-3-phenyl-acrylamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C=CC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)/C=C/C3=CC=CC=C3)N

InChI

InChI=1S/C22H28N4O3/c1-2-3-15-25-20(23)19(21(28)24-22(25)29)26(17-11-7-8-12-17)18(27)14-13-16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15,23H2,1H3,(H,24,28,29)/b14-13+