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

Systemtic Name: (E)-N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-phenyl-prop-2-enamide CAS Name: (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-3-phenyl-2-propenamide IUPAC Name: (E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-phenylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-phenyl-acrylamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O3/c1-4-5-13-24(17(26)12-11-16-9-7-6-8-10-16)18-19(22)25(14-15(2)3)21(28)23-20(18)27/h6-12,15H,4-5,13-14,22H2,1-3H3,(H,23,27,28)/b12-11+