N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-3,4-diethoxy-benzamide Formula: C21H26BrN5O4 MolecularWeight: 492.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OCC

InChI

InChI=1S/C21H26BrN5O4/c1-3-30-17-6-5-15(11-18(17)31-4-2)20(29)23-14-19(28)26-7-9-27(10-8-26)21-24-12-16(22)13-25-21/h5-6,11-13H,3-4,7-10,14H2,1-2H3,(H,23,29)